2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine

C18H23NO2 — CID 79008649

IUPAC2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-18(19,13-14-8-6-5-7-9-14)16-11-10-15(20-2)12-17(16)21-3/h5-12H,4,13,19H2,1-3H3
InChIKeyYYYGXXMMGPVYFZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine

2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine (PubChem CID 79008649) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
PubChem CID79008649
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-18(19,13-14-8-6-5-7-9-14)16-11-10-15(20-2)12-17(16)21-3/h5-12H,4,13,19H2,1-3H3
InChIKeyYYYGXXMMGPVYFZ-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
CID 79008004
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
CID 21464766
3-amino-3-(2,4-dimethoxyphenyl)hex-5-en-1-ol
CID 68653363
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine (CID 79008649) is 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine is CCC(N)(Cc1ccccc1)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine?
The InChIKey is YYYGXXMMGPVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-18(19,13-14-8-6-5-7-9-14)16-11-10-15(20-2)12-17(16)21-3/h5-12H,4,13,19H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine?
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79008649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).