3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine

C15H13BrClF2N — CID 106271721

IUPAC3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1c(F)ccc(Br)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H13BrClF2N/c16-13-4-5-14(18)12(15(13)19)7-10(8-20)9-2-1-3-11(17)6-9/h1-6,10H,7-8,20H2
InChIKeySKXSAMZAOHUCEW-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.67
Rot. Bonds4

About 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine

3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine (PubChem CID 106271721) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
PubChem CID106271721
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1c(F)ccc(Br)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H13BrClF2N/c16-13-4-5-14(18)12(15(13)19)7-10(8-20)9-2-1-3-11(17)6-9/h1-6,10H,7-8,20H2
InChIKeySKXSAMZAOHUCEW-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
(1S)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263607
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263274
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine (CID 106271721) is 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine is NCC(Cc1c(F)ccc(Br)c1F)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
The InChIKey is SKXSAMZAOHUCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c16-13-4-5-14(18)12(15(13)19)7-10(8-20)9-2-1-3-11(17)6-9/h1-6,10H,7-8,20H2.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine has a molecular weight of 360.63 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 106271721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).