2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine

C19H25NO2 — CID 83972609

IUPAC2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H25NO2/c1-3-11-22-18-9-7-15(8-10-18)12-17(14-20)16-5-4-6-19(13-16)21-2/h4-10,13,17H,3,11-12,14,20H2,1-2H3
InChIKeyYBBRHYJPTFNVAV-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.77
Rot. Bonds8

About 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine

2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine (PubChem CID 83972609) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
PubChem CID83972609
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H25NO2/c1-3-11-22-18-9-7-15(8-10-18)12-17(14-20)16-5-4-6-19(13-16)21-2/h4-10,13,17H,3,11-12,14,20H2,1-2H3
InChIKeyYBBRHYJPTFNVAV-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-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine (CID 83972609) is 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine is CCCOc1ccc(CC(CN)c2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine?
The InChIKey is YBBRHYJPTFNVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-11-22-18-9-7-15(8-10-18)12-17(14-20)16-5-4-6-19(13-16)21-2/h4-10,13,17H,3,11-12,14,20H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine?
2-(3-methoxyphenyl)-3-(4-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-(4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).