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

C15H14BrClFNO — CID 65188134

IUPAC3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFNO/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
InChIKeyQCQOSJPXBPJTPF-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.02
Rot. Bonds4

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

3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 65188134) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol
PubChem CID65188134
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFNO/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
InChIKeyQCQOSJPXBPJTPF-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol (CID 65188134) is 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1ccc(Cl)cc1F.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is QCQOSJPXBPJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/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-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(4-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-(4-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65188134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).