1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine

C16H26ClN — CID 63529109

IUPAC1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1Cl)C(C)(C)CC
InChIInChI=1S/C16H26ClN/c1-5-11-18-15(16(3,4)6-2)12-13-9-7-8-10-14(13)17/h7-10,15,18H,5-6,11-12H2,1-4H3
InChIKeyXAJHKNZVFIHUSR-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds7

About 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine

1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine (PubChem CID 63529109) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
PubChem CID63529109
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1Cl)C(C)(C)CC
InChIInChI=1S/C16H26ClN/c1-5-11-18-15(16(3,4)6-2)12-13-9-7-8-10-14(13)17/h7-10,15,18H,5-6,11-12H2,1-4H3
InChIKeyXAJHKNZVFIHUSR-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
CID 63416575
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine (CID 63529109) is 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine is CCCNC(Cc1ccccc1Cl)C(C)(C)CC.
What is the InChIKey of 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine?
The InChIKey is XAJHKNZVFIHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-11-18-15(16(3,4)6-2)12-13-9-7-8-10-14(13)17/h7-10,15,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine?
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 63529109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).