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

C26H31NO2 — CID 110185374

IUPAC1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H31NO2/c1-21(18-23-13-15-25(28-2)16-14-23)27-17-7-11-22-10-6-12-26(19-22)29-20-24-8-4-3-5-9-24/h3-6,8-10,12-16,19,21,27H,7,11,17-18,20H2,1-2H3
InChIKeyVTROUFFAWHHBSF-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.43
Rot. Bonds11

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

1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine (PubChem CID 110185374) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
PubChem CID110185374
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H31NO2/c1-21(18-23-13-15-25(28-2)16-14-23)27-17-7-11-22-10-6-12-26(19-22)29-20-24-8-4-3-5-9-24/h3-6,8-10,12-16,19,21,27H,7,11,17-18,20H2,1-2H3
InChIKeyVTROUFFAWHHBSF-UHFFFAOYSA-N
XLogP5.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.43
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-methoxyphenyl)propyl]propan-2-amine
CID 110185121
1-(1,3-benzodioxol-5-yl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
CID 110185372
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
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
formaldehyde;methoxyethane;3-[2-[[1-(4-phenylmethoxyphenyl)-3-(3-phenylpropylamino)butan-2-yl]amino]ethyl]phenol
CID 142043945
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine (CID 110185374) is 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine is COc1ccc(CC(C)NCCCc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine?
The InChIKey is VTROUFFAWHHBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-21(18-23-13-15-25(28-2)16-14-23)27-17-7-11-22-10-6-12-26(19-22)29-20-24-8-4-3-5-9-24/h3-6,8-10,12-16,19,21,27H,7,11,17-18,20H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine?
1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine has a molecular weight of 389.54 g/mol, XLogP of 5.43, 11 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-phenylmethoxyphenyl)propyl]propan-2-amine is sourced from PubChem (CID 110185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).