3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol

C16H18BrNO — CID 65186404

IUPAC3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-11-4-2-3-5-14(11)16(19)15(10-18)12-6-8-13(17)9-7-12/h2-9,15-16,19H,10,18H2,1H3
InChIKeyMQEFDWJUCURVFE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol

3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 65186404) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
PubChem CID65186404
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-11-4-2-3-5-14(11)16(19)15(10-18)12-6-8-13(17)9-7-12/h2-9,15-16,19H,10,18H2,1H3
InChIKeyMQEFDWJUCURVFE-UHFFFAOYSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65186689
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol (CID 65186404) is 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is MQEFDWJUCURVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-4-2-3-5-14(11)16(19)15(10-18)12-6-8-13(17)9-7-12/h2-9,15-16,19H,10,18H2,1H3.
What are the key properties of 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol?
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 320.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65186404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).