1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine

C20H27NO — CID 22640922

IUPAC1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
SMILESCOc1ccc(CC(C)(C)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-20(2,16-18-11-13-19(22-3)14-12-18)21-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,21H,7,10,15-16H2,1-3H3
InChIKeyLZCRBUOGUXJUDG-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.24
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine

1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine (PubChem CID 22640922) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
PubChem CID22640922
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine
SMILESCOc1ccc(CC(C)(C)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H27NO/c1-20(2,16-18-11-13-19(22-3)14-12-18)21-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,21H,7,10,15-16H2,1-3H3
InChIKeyLZCRBUOGUXJUDG-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
3-ethyl-N-(3-phenylpropyl)pentan-3-amine
CID 65039319
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
(2S)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1,2-diol
CID 70597929
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine (CID 22640922) is 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine is COc1ccc(CC(C)(C)NCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is LZCRBUOGUXJUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-20(2,16-18-11-13-19(22-3)14-12-18)21-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,21H,7,10,15-16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine?
1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 22640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).