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

C15H13BrCl2FNO — CID 65187535

IUPAC3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c16-8-1-3-11(13(17)5-8)15(21)12(7-20)10-4-2-9(19)6-14(10)18/h1-6,12,15,21H,7,20H2
InChIKeyDTOJUAXVIZDIKG-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.67
Rot. Bonds4

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

3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol (PubChem CID 65187535) has the molecular formula C15H13BrCl2FNO and a molecular weight of 393.08 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
PubChem CID65187535
Molecular FormulaC15H13BrCl2FNO
Molecular Weight393.08 g/mol
Exact Mass390.95
IUPAC Name3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c16-8-1-3-11(13(17)5-8)15(21)12(7-20)10-4-2-9(19)6-14(10)18/h1-6,12,15,21H,7,20H2
InChIKeyDTOJUAXVIZDIKG-UHFFFAOYSA-N
XLogP4.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
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-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65189585
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
CID 82792768

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol (CID 65187535) is 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1Cl)C(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol?
The InChIKey is DTOJUAXVIZDIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FNO/c16-8-1-3-11(13(17)5-8)15(21)12(7-20)10-4-2-9(19)6-14(10)18/h1-6,12,15,21H,7,20H2.
What are the key properties of 3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol?
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol has a molecular weight of 393.08 g/mol, XLogP of 4.67, 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-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65187535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).