3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol

C15H14Br2ClNO — CID 65187815

IUPAC3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-5-4-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeySHLSQAPOKJPZLN-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.64
Rot. Bonds4

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

3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol (PubChem CID 65187815) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
PubChem CID65187815
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-5-4-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeySHLSQAPOKJPZLN-UHFFFAOYSA-N
XLogP4.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
CID 65187605
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol (CID 65187815) is 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol?
The InChIKey is SHLSQAPOKJPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-5-4-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol?
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol has a molecular weight of 419.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 65187815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).