1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine

C20H27NO2 — CID 110185121

IUPAC1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCCc2cccc(OC)c2)cc1
InChIInChI=1S/C20H27NO2/c1-16(14-18-9-11-19(22-2)12-10-18)21-13-5-7-17-6-4-8-20(15-17)23-3/h4,6,8-12,15-16,21H,5,7,13-14H2,1-3H3
InChIKeyMKCGZZIYBCVKPM-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.86
Rot. Bonds9

About 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine

1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine (PubChem CID 110185121) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
PubChem CID110185121
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCCc2cccc(OC)c2)cc1
InChIInChI=1S/C20H27NO2/c1-16(14-18-9-11-19(22-2)12-10-18)21-13-5-7-17-6-4-8-20(15-17)23-3/h4,6,8-12,15-16,21H,5,7,13-14H2,1-3H3
InChIKeyMKCGZZIYBCVKPM-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
CID 110185374
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(2S)-1-(2-iodo-5-methoxyphenyl)propan-2-yl]-4-phenylbutan-1-amine
CID 129405336

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine (CID 110185121) is 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine is COc1ccc(CC(C)NCCCc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine?
The InChIKey is MKCGZZIYBCVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-16(14-18-9-11-19(22-2)12-10-18)21-13-5-7-17-6-4-8-20(15-17)23-3/h4,6,8-12,15-16,21H,5,7,13-14H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine?
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine is sourced from PubChem (CID 110185121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).