3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol

C15H13BrCl2FNO — CID 65186668

IUPAC3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c16-8-4-5-11(17)9(6-8)15(21)10(7-20)14-12(18)2-1-3-13(14)19/h1-6,10,15,21H,7,20H2
InChIKeyMPUAMTIJMAVTTC-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.67
Rot. Bonds4

About 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol

3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol (PubChem CID 65186668) has the molecular formula C15H13BrCl2FNO and a molecular weight of 393.08 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
PubChem CID65186668
Molecular FormulaC15H13BrCl2FNO
Molecular Weight393.08 g/mol
Exact Mass390.95
IUPAC Name3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c16-8-4-5-11(17)9(6-8)15(21)10(7-20)14-12(18)2-1-3-13(14)19/h1-6,10,15,21H,7,20H2
InChIKeyMPUAMTIJMAVTTC-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-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol (CID 65186668) is 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol is NCC(c1c(F)cccc1Cl)C(O)c1cc(Br)ccc1Cl.
What is the InChIKey of 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol?
The InChIKey is MPUAMTIJMAVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FNO/c16-8-4-5-11(17)9(6-8)15(21)10(7-20)14-12(18)2-1-3-13(14)19/h1-6,10,15,21H,7,20H2.
What are the key properties of 3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol?
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-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-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65186668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).