1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol

C15H15BrClNO — CID 106867541

IUPAC1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Br)ccc2N)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-9-2-3-10(13(17)6-9)7-15(19)12-8-11(16)4-5-14(12)18/h2-6,8,15,19H,7,18H2,1H3
InChIKeyKUARIITUAOWNHB-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.27
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol

1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol (PubChem CID 106867541) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
PubChem CID106867541
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Br)ccc2N)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-9-2-3-10(13(17)6-9)7-15(19)12-8-11(16)4-5-14(12)18/h2-6,8,15,19H,7,18H2,1H3
InChIKeyKUARIITUAOWNHB-UHFFFAOYSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.27
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-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
[1-(5-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868638
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107884341
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol (CID 106867541) is 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol is Cc1ccc(CC(O)c2cc(Br)ccc2N)c(Cl)c1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
The InChIKey is KUARIITUAOWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-2-3-10(13(17)6-9)7-15(19)12-8-11(16)4-5-14(12)18/h2-6,8,15,19H,7,18H2,1H3.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol?
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol has a molecular weight of 340.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 106867541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).