3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol

C16H17Br2NO — CID 65309758

IUPAC3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
SMILESCc1ccc(Br)cc1C(O)C(CN)c1ccccc1Br
InChIInChI=1S/C16H17Br2NO/c1-10-6-7-11(17)8-13(10)16(20)14(9-19)12-4-2-3-5-15(12)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyCKVFDMCIRHEFMO-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.30
Rot. Bonds4

About 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol

3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol (PubChem CID 65309758) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
PubChem CID65309758
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
SMILESCc1ccc(Br)cc1C(O)C(CN)c1ccccc1Br
InChIInChI=1S/C16H17Br2NO/c1-10-6-7-11(17)8-13(10)16(20)14(9-19)12-4-2-3-5-15(12)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyCKVFDMCIRHEFMO-UHFFFAOYSA-N
XLogP4.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 82801260
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
CID 107955038
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-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol (CID 65309758) is 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol is Cc1ccc(Br)cc1C(O)C(CN)c1ccccc1Br.
What is the InChIKey of 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol?
The InChIKey is CKVFDMCIRHEFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-6-7-11(17)8-13(10)16(20)14(9-19)12-4-2-3-5-15(12)18/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol?
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol has a molecular weight of 399.13 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol is sourced from PubChem (CID 65309758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).