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

C15H16BrNO — CID 83748925

IUPAC2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)15(18,10-17)13-6-8-14(16)9-7-13/h2-9,18H,10,17H2,1H3
InChIKeyUCOCKMAPFJZSLP-UHFFFAOYSA-N
MW306.20 g/mol
LogP2.95
Rot. Bonds3

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

2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol (PubChem CID 83748925) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
PubChem CID83748925
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)15(18,10-17)13-6-8-14(16)9-7-13/h2-9,18H,10,17H2,1H3
InChIKeyUCOCKMAPFJZSLP-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide
CID 170614484
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
1-bromo-4-methylbenzene;butan-1-amine;ethane
CID 178163342
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
ethyl 3-[4-(4-bromophenyl)phenyl]-3-hydroxybutanoate
CID 22718779
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol (CID 83748925) is 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)(CN)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol?
The InChIKey is UCOCKMAPFJZSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)15(18,10-17)13-6-8-14(16)9-7-13/h2-9,18H,10,17H2,1H3.
What are the key properties of 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol?
2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol has a molecular weight of 306.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 83748925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).