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

C18H23NO2 — CID 62801453

IUPAC1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-12-18(19,14-8-6-5-7-9-14)16-11-10-15(20-2)13-17(16)21-3/h5-11,13H,4,12,19H2,1-3H3
InChIKeyVBMWSDGHNFUAPW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine (PubChem CID 62801453) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
PubChem CID62801453
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-12-18(19,14-8-6-5-7-9-14)16-11-10-15(20-2)13-17(16)21-3/h5-11,13H,4,12,19H2,1-3H3
InChIKeyVBMWSDGHNFUAPW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
CID 79008649
1-(2-methoxy-4,6-dimethylphenyl)-1-phenylbutan-1-amine
CID 106679845
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine
CID 67729247
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
CID 70908135
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 62963914

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine (CID 62801453) is 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
The InChIKey is VBMWSDGHNFUAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-12-18(19,14-8-6-5-7-9-14)16-11-10-15(20-2)13-17(16)21-3/h5-11,13H,4,12,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 62801453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).