3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol

C15H15BrClNO — CID 65184614

IUPAC3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1ccccc1Br
InChIInChI=1S/C15H15BrClNO/c16-13-7-3-1-6-11(13)15(19)12(9-18)10-5-2-4-8-14(10)17/h1-8,12,15,19H,9,18H2
InChIKeySPYNQSRBFLHQLX-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol

3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol (PubChem CID 65184614) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
PubChem CID65184614
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1ccccc1Br
InChIInChI=1S/C15H15BrClNO/c16-13-7-3-1-6-11(13)15(19)12(9-18)10-5-2-4-8-14(10)17/h1-8,12,15,19H,9,18H2
InChIKeySPYNQSRBFLHQLX-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
CID 106690371
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
CID 82792768
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
CID 114552977
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79807640
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-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol (CID 65184614) is 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol is NCC(c1ccccc1Cl)C(O)c1ccccc1Br.
What is the InChIKey of 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol?
The InChIKey is SPYNQSRBFLHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c16-13-7-3-1-6-11(13)15(19)12(9-18)10-5-2-4-8-14(10)17/h1-8,12,15,19H,9,18H2.
What are the key properties of 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol?
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol has a molecular weight of 340.65 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol is sourced from PubChem (CID 65184614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).