1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine

C18H22ClN — CID 106868091

IUPAC1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)cc(CC(N)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C18H22ClN/c1-12-4-5-16(18(19)9-12)11-17(20)10-15-7-13(2)6-14(3)8-15/h4-9,17H,10-11,20H2,1-3H3
InChIKeyBSUQCCMSIXHVRG-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.38
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine

1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine (PubChem CID 106868091) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
PubChem CID106868091
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)cc(CC(N)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C18H22ClN/c1-12-4-5-16(18(19)9-12)11-17(20)10-15-7-13(2)6-14(3)8-15/h4-9,17H,10-11,20H2,1-3H3
InChIKeyBSUQCCMSIXHVRG-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
CID 106867617
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337
1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
CID 106866285
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine (CID 106868091) is 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine is Cc1cc(C)cc(CC(N)Cc2ccc(C)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
The InChIKey is BSUQCCMSIXHVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-4-5-16(18(19)9-12)11-17(20)10-15-7-13(2)6-14(3)8-15/h4-9,17H,10-11,20H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 106868091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).