1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol

C17H21NO3 — CID 62375323

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

About 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol

1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol (PubChem CID 62375323) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
PubChem CID62375323
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
SMILESCOc1ccc(NCC(C)(O)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-17(19,13-7-5-4-6-8-13)12-18-15-10-9-14(20-2)11-16(15)21-3/h4-11,18-19H,12H2,1-3H3
InChIKeyKLCDFAWLIACCSP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
methyl 3-(2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643628
4-(2,4-dimethoxyanilino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 17421509
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol (CID 62375323) is 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol is COc1ccc(NCC(C)(O)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol?
The InChIKey is KLCDFAWLIACCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(19,13-7-5-4-6-8-13)12-18-15-10-9-14(20-2)11-16(15)21-3/h4-11,18-19H,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol?
1-(2,4-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-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62375323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).