2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine

C21H29NO — CID 83972858

IUPAC2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccc(OCC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H29NO/c1-15(2)14-23-20-8-6-18(7-9-20)12-19(13-22)21-10-5-16(3)11-17(21)4/h5-11,15,19H,12-14,22H2,1-4H3
InChIKeyIWLXAFZRABJNIM-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.62
Rot. Bonds7

About 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine

2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 83972858) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID83972858
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccc(OCC(C)C)cc2)c(C)c1
InChIInChI=1S/C21H29NO/c1-15(2)14-23-20-8-6-18(7-9-20)12-19(13-22)21-10-5-16(3)11-17(21)4/h5-11,15,19H,12-14,22H2,1-4H3
InChIKeyIWLXAFZRABJNIM-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
2-(2,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972840
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83973891
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine (CID 83972858) is 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine is Cc1ccc(C(CN)Cc2ccc(OCC(C)C)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is IWLXAFZRABJNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-15(2)14-23-20-8-6-18(7-9-20)12-19(13-22)21-10-5-16(3)11-17(21)4/h5-11,15,19H,12-14,22H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine?
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 83972858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).