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

C18H23N — CID 83972875

IUPAC2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H23N/c1-13-5-4-6-16(10-13)11-17(12-19)18-8-7-14(2)9-15(18)3/h4-10,17H,11-12,19H2,1-3H3
InChIKeyXKGSWIXZVYLAAE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.90
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 83972875) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID83972875
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H23N/c1-13-5-4-6-16(10-13)11-17(12-19)18-8-7-14(2)9-15(18)3/h4-10,17H,11-12,19H2,1-3H3
InChIKeyXKGSWIXZVYLAAE-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972840
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858
3-[3-amino-2-(2,5-dimethylphenyl)propyl]benzonitrile
CID 82140987
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976905

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine (CID 83972875) is 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)c2ccc(C)cc2C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is XKGSWIXZVYLAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-5-4-6-16(10-13)11-17(12-19)18-8-7-14(2)9-15(18)3/h4-10,17H,11-12,19H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83972875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).