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

C23H25NO — CID 83972725

IUPAC2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C23H25NO/c1-17-11-12-20(13-18(17)2)21(16-24)14-19-7-6-10-23(15-19)25-22-8-4-3-5-9-22/h3-13,15,21H,14,16,24H2,1-2H3
InChIKeyBOIOWNGQSCILSU-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.38
Rot. Bonds6

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

2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine (PubChem CID 83972725) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
PubChem CID83972725
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C23H25NO/c1-17-11-12-20(13-18(17)2)21(16-24)14-19-7-6-10-23(15-19)25-22-8-4-3-5-9-22/h3-13,15,21H,14,16,24H2,1-2H3
InChIKeyBOIOWNGQSCILSU-UHFFFAOYSA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)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-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
2-(3,4-difluorophenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83973683
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767
3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973445
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine (CID 83972725) is 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2cccc(Oc3ccccc3)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is BOIOWNGQSCILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-17-11-12-20(13-18(17)2)21(16-24)14-19-7-6-10-23(15-19)25-22-8-4-3-5-9-22/h3-13,15,21H,14,16,24H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine?
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).