2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine

C19H25NO2 — CID 83972606

IUPAC2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2cccc(OC)c2)c1
InChIInChI=1S/C19H25NO2/c1-3-10-22-19-9-4-6-15(12-19)11-17(14-20)16-7-5-8-18(13-16)21-2/h4-9,12-13,17H,3,10-11,14,20H2,1-2H3
InChIKeyGWTZOTSPWCNWMP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.77
Rot. Bonds8

About 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine

2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine (PubChem CID 83972606) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
PubChem CID83972606
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2cccc(OC)c2)c1
InChIInChI=1S/C19H25NO2/c1-3-10-22-19-9-4-6-15(12-19)11-17(14-20)16-7-5-8-18(13-16)21-2/h4-9,12-13,17H,3,10-11,14,20H2,1-2H3
InChIKeyGWTZOTSPWCNWMP-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine (CID 83972606) is 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine is CCCOc1cccc(CC(CN)c2cccc(OC)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine?
The InChIKey is GWTZOTSPWCNWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-10-22-19-9-4-6-15(12-19)11-17(14-20)16-7-5-8-18(13-16)21-2/h4-9,12-13,17H,3,10-11,14,20H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine?
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).