1-(2-amino-5-methoxyanilino)-1-phenylethanol

C15H18N2O2 — CID 150434965

IUPAC1-(2-amino-5-methoxyanilino)-1-phenylethanol
SMILESCOc1ccc(N)c(NC(C)(O)c2ccccc2)c1
InChIInChI=1S/C15H18N2O2/c1-15(18,11-6-4-3-5-7-11)17-14-10-12(19-2)8-9-13(14)16/h3-10,17-18H,16H2,1-2H3
InChIKeyHKOIYNDTVSSXDK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-amino-5-methoxyanilino)-1-phenylethanol

1-(2-amino-5-methoxyanilino)-1-phenylethanol (PubChem CID 150434965) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyanilino)-1-phenylethanol.

Molecular Properties

Compound Name1-(2-amino-5-methoxyanilino)-1-phenylethanol
PubChem CID150434965
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-amino-5-methoxyanilino)-1-phenylethanol
SMILESCOc1ccc(N)c(NC(C)(O)c2ccccc2)c1
InChIInChI=1S/C15H18N2O2/c1-15(18,11-6-4-3-5-7-11)17-14-10-12(19-2)8-9-13(14)16/h3-10,17-18H,16H2,1-2H3
InChIKeyHKOIYNDTVSSXDK-UHFFFAOYSA-N
XLogP2.55
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
(2-amino-5-methoxyphenyl)carbamodithioic acid
CID 169433846
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
[3-[(2-amino-5-methoxyanilino)methyl]phenyl]methanol
CID 107231944
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyanilino)-1-phenylethanol?
The IUPAC name of 1-(2-amino-5-methoxyanilino)-1-phenylethanol (CID 150434965) is 1-(2-amino-5-methoxyanilino)-1-phenylethanol.
What is the SMILES notation for 1-(2-amino-5-methoxyanilino)-1-phenylethanol?
The canonical SMILES for 1-(2-amino-5-methoxyanilino)-1-phenylethanol is COc1ccc(N)c(NC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-(2-amino-5-methoxyanilino)-1-phenylethanol?
The InChIKey is HKOIYNDTVSSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(18,11-6-4-3-5-7-11)17-14-10-12(19-2)8-9-13(14)16/h3-10,17-18H,16H2,1-2H3.
What are the key properties of 1-(2-amino-5-methoxyanilino)-1-phenylethanol?
1-(2-amino-5-methoxyanilino)-1-phenylethanol has a molecular weight of 258.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyanilino)-1-phenylethanol is sourced from PubChem (CID 150434965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).