3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol

C15H14BrCl2NO — CID 107954971

IUPAC3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrCl2NO/c16-11-5-10(6-13(18)7-11)15(20)14(8-19)9-1-3-12(17)4-2-9/h1-7,14-15,20H,8,19H2
InChIKeyKQRKBQDDWXKDPN-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.53
Rot. Bonds4

About 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol

3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 107954971) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
PubChem CID107954971
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrCl2NO/c16-11-5-10(6-13(18)7-11)15(20)14(8-19)9-1-3-12(17)4-2-9/h1-7,14-15,20H,8,19H2
InChIKeyKQRKBQDDWXKDPN-UHFFFAOYSA-N
XLogP4.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)propan-1-ol
CID 81325141
3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
CID 107955038
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
CID 107954978
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364
3-amino-1-(3-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525918
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol (CID 107954971) is 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol is NCC(c1ccc(Cl)cc1)C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is KQRKBQDDWXKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c16-11-5-10(6-13(18)7-11)15(20)14(8-19)9-1-3-12(17)4-2-9/h1-7,14-15,20H,8,19H2.
What are the key properties of 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol?
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol has a molecular weight of 375.09 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 107954971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).