1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol

C16H18ClNO — CID 64916180

IUPAC1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H18ClNO/c1-10-3-4-11(2)12(7-10)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9,16,19H,8,18H2,1-2H3
InChIKeyHOGXDRWEJBOBOQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol

1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 64916180) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID64916180
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H18ClNO/c1-10-3-4-11(2)12(7-10)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9,16,19H,8,18H2,1-2H3
InChIKeyHOGXDRWEJBOBOQ-UHFFFAOYSA-N
XLogP3.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.82
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-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
[1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287672
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
CID 107993440
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dimethylphenyl)ethanol
CID 65362512
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
[1-(2-chloro-4-methylphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 106859721

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol (CID 64916180) is 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)c2ccc(Cl)cc2N)c1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is HOGXDRWEJBOBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-3-4-11(2)12(7-10)8-16(19)14-6-5-13(17)9-15(14)18/h3-7,9,16,19H,8,18H2,1-2H3.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol?
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 275.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 64916180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).