3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol

C15H14BrClFNO — CID 65188081

IUPAC3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14BrClFNO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-7-11(17)4-5-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeyMRQPTAXSEDBBPJ-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.02
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 65188081) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
PubChem CID65188081
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14BrClFNO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-7-11(17)4-5-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeyMRQPTAXSEDBBPJ-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

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol (CID 65188081) is 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1cc(Cl)ccc1F.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is MRQPTAXSEDBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-7-11(17)4-5-14(12)18/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-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-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65188081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).