1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol

C15H17ClN2O — CID 133108525

IUPAC1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
SMILESCc1ccc(C(O)CNc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H17ClN2O/c1-10-2-3-11(8-14(10)17)15(19)9-18-13-6-4-12(16)5-7-13/h2-8,15,18-19H,9,17H2,1H3
InChIKeyNZGLMFJOESSVPB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol

1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol (PubChem CID 133108525) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
PubChem CID133108525
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
SMILESCc1ccc(C(O)CNc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H17ClN2O/c1-10-2-3-11(8-14(10)17)15(19)9-18-13-6-4-12(16)5-7-13/h2-8,15,18-19H,9,17H2,1H3
InChIKeyNZGLMFJOESSVPB-UHFFFAOYSA-N
XLogP3.38
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol (CID 133108525) is 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol is Cc1ccc(C(O)CNc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol?
The InChIKey is NZGLMFJOESSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-2-3-11(8-14(10)17)15(19)9-18-13-6-4-12(16)5-7-13/h2-8,15,18-19H,9,17H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol?
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol has a molecular weight of 276.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol is sourced from PubChem (CID 133108525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).