2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine

C20H27NO2 — CID 83974613

IUPAC2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H27NO2/c1-4-11-23-18-8-6-16(7-9-18)13-17(14-21)19-12-15(2)5-10-20(19)22-3/h5-10,12,17H,4,11,13-14,21H2,1-3H3
InChIKeyDHAANGANOLVKPT-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.08
Rot. Bonds8

About 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine

2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine (PubChem CID 83974613) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
PubChem CID83974613
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H27NO2/c1-4-11-23-18-8-6-16(7-9-18)13-17(14-21)19-12-15(2)5-10-20(19)22-3/h5-10,12,17H,4,11,13-14,21H2,1-3H3
InChIKeyDHAANGANOLVKPT-UHFFFAOYSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)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

3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine (CID 83974613) is 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine is CCCOc1ccc(CC(CN)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine?
The InChIKey is DHAANGANOLVKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-11-23-18-8-6-16(7-9-18)13-17(14-21)19-12-15(2)5-10-20(19)22-3/h5-10,12,17H,4,11,13-14,21H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine?
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83974613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).