1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol

C17H21NO3 — CID 62373660

IUPAC1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
SMILESCOc1ccc(OC)c(NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-17(19,13-7-5-4-6-8-13)12-18-15-11-14(20-2)9-10-16(15)21-3/h4-11,18-19H,12H2,1-3H3
InChIKeyYWUONYAUDFDCTD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds6

About 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol

1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol (PubChem CID 62373660) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
PubChem CID62373660
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
SMILESCOc1ccc(OC)c(NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-17(19,13-7-5-4-6-8-13)12-18-15-11-14(20-2)9-10-16(15)21-3/h4-11,18-19H,12H2,1-3H3
InChIKeyYWUONYAUDFDCTD-UHFFFAOYSA-N
XLogP3.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
CID 82538820
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084
1-(2-amino-5-methoxyanilino)-1-phenylethanol
CID 150434965

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol (CID 62373660) is 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol is COc1ccc(OC)c(NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol?
The InChIKey is YWUONYAUDFDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(19,13-7-5-4-6-8-13)12-18-15-11-14(20-2)9-10-16(15)21-3/h4-11,18-19H,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol?
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).