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

C15H14BrClFNO — CID 81308149

IUPAC3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(F)c1)C(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H14BrClFNO/c16-13-5-4-10(7-14(13)17)15(20)12(8-19)9-2-1-3-11(18)6-9/h1-7,12,15,20H,8,19H2
InChIKeyRMVRYHCEPUBKOI-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.02
Rot. Bonds4

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

3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 81308149) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID81308149
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(F)c1)C(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H14BrClFNO/c16-13-5-4-10(7-14(13)17)15(20)12(8-19)9-2-1-3-11(18)6-9/h1-7,12,15,20H,8,19H2
InChIKeyRMVRYHCEPUBKOI-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

(1R,2R)-2-(4-bromo-3-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 86287819
(1R,2S)-2-(4-bromo-3-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 86288367
(1S,2S)-2-(4-bromo-3-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 86288600
(1S,2R)-2-(4-bromo-3-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689699
(1S)-2-(4-bromo-3-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 134420021
(1R)-2-amino-1-(3-bromo-4-chloro-2-fluorophenyl)-1-phenylethanol
CID 178596104
2-Amino-1-(5-bromo-4-chloro-2-fluorophenyl)-1-phenylethanol
CID 178596137
2-Amino-1-(3-bromo-4-chloro-5-fluorophenyl)-1-phenylethanol
CID 178596155
2-Amino-1-(3-bromo-4-chloro-2-fluorophenyl)-1-phenylethanol
CID 178596164
(1S)-2-amino-1-(3-bromo-4-chloro-2-fluorophenyl)-1-phenylethanol
CID 178596175
1-(4-Bromo-3-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 55150659
(4-Bromophenyl)-(5-chloro-2-fluorophenyl)methanol
CID 61101575

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol (CID 81308149) is 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol is NCC(c1cccc(F)c1)C(O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is RMVRYHCEPUBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-13-5-4-10(7-14(13)17)15(20)12(8-19)9-2-1-3-11(18)6-9/h1-7,12,15,20H,8,19H2.
What are the key properties of 3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
3-amino-1-(4-bromo-3-chlorophenyl)-2-(3-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-1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 81308149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).