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

C20H27NO3 — CID 83972587

IUPAC2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cc(CC(CN)c2cccc(OC)c2)ccc1OC
InChIInChI=1S/C20H27NO3/c1-4-10-24-20-12-15(8-9-19(20)23-3)11-17(14-21)16-6-5-7-18(13-16)22-2/h5-9,12-13,17H,4,10-11,14,21H2,1-3H3
InChIKeyVDIRTUBSSPIVIL-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.78
Rot. Bonds9

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

2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine (PubChem CID 83972587) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
PubChem CID83972587
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cc(CC(CN)c2cccc(OC)c2)ccc1OC
InChIInChI=1S/C20H27NO3/c1-4-10-24-20-12-15(8-9-19(20)23-3)11-17(14-21)16-6-5-7-18(13-16)22-2/h5-9,12-13,17H,4,10-11,14,21H2,1-3H3
InChIKeyVDIRTUBSSPIVIL-UHFFFAOYSA-N
XLogP3.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine (CID 83972587) is 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine is CCCOc1cc(CC(CN)c2cccc(OC)c2)ccc1OC.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
The InChIKey is VDIRTUBSSPIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-10-24-20-12-15(8-9-19(20)23-3)11-17(14-21)16-6-5-7-18(13-16)22-2/h5-9,12-13,17H,4,10-11,14,21H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).