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

C20H27NO — CID 83974956

IUPAC2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCCOc1cc(C)c(C)cc1C(CN)Cc1cccc(C)c1
InChIInChI=1S/C20H27NO/c1-5-22-20-11-16(4)15(3)10-19(20)18(13-21)12-17-8-6-7-14(2)9-17/h6-11,18H,5,12-13,21H2,1-4H3
InChIKeyOIEPQRDCMLTQOU-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.30
Rot. Bonds6

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

2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 83974956) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID83974956
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCCOc1cc(C)c(C)cc1C(CN)Cc1cccc(C)c1
InChIInChI=1S/C20H27NO/c1-5-22-20-11-16(4)15(3)10-19(20)18(13-21)12-17-8-6-7-14(2)9-17/h6-11,18H,5,12-13,21H2,1-4H3
InChIKeyOIEPQRDCMLTQOU-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)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-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
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-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine (CID 83974956) is 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine is CCOc1cc(C)c(C)cc1C(CN)Cc1cccc(C)c1.
What is the InChIKey of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is OIEPQRDCMLTQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-22-20-11-16(4)15(3)10-19(20)18(13-21)12-17-8-6-7-14(2)9-17/h6-11,18H,5,12-13,21H2,1-4H3.
What are the key properties of 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine?
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).