1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride

C118H172Cl3F4N — CID 158820526

IUPAC1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride
SMILESCC(C)C(C)C.CC(C)CC(C)C.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1ccccc1F.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.Cl
InChIInChI=1S/C12H15N.3C11H16.2C10H13Cl.C10H12F2.2C10H13F.C10H14.C7H16.C6H14.ClH/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)7-11-6-4-5-10(3)8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)5-7(3)4;1-5(2)6(3)4;/h3-6,8-9,13H,7H2,1-2H3;4-7,9H,8H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;2*3-6,8H,7H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3;1H
InChIKeyZMSFCOQZCFSDAD-UHFFFAOYSA-N
MW1787.03 g/mol
LogP37.53
Rot. Bonds23

About 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride

1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride (PubChem CID 158820526) has the molecular formula C118H172Cl3F4N and a molecular weight of 1787.03 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride.

Molecular Properties

Compound Name1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride
PubChem CID158820526
Molecular FormulaC118H172Cl3F4N
Molecular Weight1787.03 g/mol
Exact Mass1784.25
IUPAC Name1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride
SMILESCC(C)C(C)C.CC(C)CC(C)C.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1ccccc1F.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.Cl
InChIInChI=1S/C12H15N.3C11H16.2C10H13Cl.C10H12F2.2C10H13F.C10H14.C7H16.C6H14.ClH/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)7-11-6-4-5-10(3)8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)5-7(3)4;1-5(2)6(3)4;/h3-6,8-9,13H,7H2,1-2H3;4-7,9H,8H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;2*3-6,8H,7H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3;1H
InChIKeyZMSFCOQZCFSDAD-UHFFFAOYSA-N
XLogP37.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001787.03
LogP ≤ 537.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride with MolForge

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Related Compounds

1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-2-(2-methylpropyl)benzene;1-isocyano-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-methyl-4-(2-methylpropyl)benzene)
CID 158696321
1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3H-pyrrole
CID 167630692
(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole
CID 163636183
2-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanal
CID 174572112
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
2-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanal
CID 174572153
1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95347809
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104
2-chloro-1-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 106870664
N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 90290345

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride?
The IUPAC name of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride (CID 158820526) is 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride.
What is the SMILES notation for 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride?
The canonical SMILES for 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride is CC(C)C(C)C.CC(C)CC(C)C.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1ccccc1F.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.Cl.
What is the InChIKey of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride?
The InChIKey is ZMSFCOQZCFSDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.3C11H16.2C10H13Cl.C10H12F2.2C10H13F.C10H14.C7H16.C6H14.ClH/c1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)7-11-6-4-5-10(3)8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)5-7(3)4;1-5(2)6(3)4;/h3-6,8-9,13H,7H2,1-2H3;4-7,9H,8H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;2*3-6,8H,7H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3;1H.
What are the key properties of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride?
1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride has a molecular weight of 1787.03 g/mol, XLogP of 37.53, 23 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride is sourced from PubChem (CID 158820526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).