1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol

C15H16ClNO — CID 106867344

IUPAC1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccccc2N)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-11(13(16)8-10)9-15(18)12-4-2-3-5-14(12)17/h2-8,15,18H,9,17H2,1H3
InChIKeyOBOWQPCSOHVXJU-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.51
Rot. Bonds3

About 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol

1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol (PubChem CID 106867344) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
PubChem CID106867344
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccccc2N)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-11(13(16)8-10)9-15(18)12-4-2-3-5-14(12)17/h2-8,15,18H,9,17H2,1H3
InChIKeyOBOWQPCSOHVXJU-UHFFFAOYSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 106866608
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol (CID 106867344) is 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol is Cc1ccc(CC(O)c2ccccc2N)c(Cl)c1.
What is the InChIKey of 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The InChIKey is OBOWQPCSOHVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-7-11(13(16)8-10)9-15(18)12-4-2-3-5-14(12)17/h2-8,15,18H,9,17H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol has a molecular weight of 261.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 106867344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).