3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol

C15H14BrClFNO — CID 65186256

IUPAC3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
SMILESNCC(c1ccc(Br)cc1)C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H14BrClFNO/c16-10-3-1-9(2-4-10)13(8-19)15(20)12-6-5-11(18)7-14(12)17/h1-7,13,15,20H,8,19H2
InChIKeySNHGPBSKYFQIHL-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.02
Rot. Bonds4

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

3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol (PubChem CID 65186256) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
PubChem CID65186256
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
SMILESNCC(c1ccc(Br)cc1)C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H14BrClFNO/c16-10-3-1-9(2-4-10)13(8-19)15(20)12-6-5-11(18)7-14(12)17/h1-7,13,15,20H,8,19H2
InChIKeySNHGPBSKYFQIHL-UHFFFAOYSA-N
XLogP4.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol (CID 65186256) is 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol is NCC(c1ccc(Br)cc1)C(O)c1ccc(F)cc1Cl.
What is the InChIKey of 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol?
The InChIKey is SNHGPBSKYFQIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-10-3-1-9(2-4-10)13(8-19)15(20)12-6-5-11(18)7-14(12)17/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol?
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol has a molecular weight of 358.64 g/mol, XLogP of 4.02, 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-chloro-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65186256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).