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

C15H13BrClF2N — CID 106271749

IUPAC3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1c(F)ccc(Br)c1F)c1ccccc1Cl
InChIInChI=1S/C15H13BrClF2N/c16-12-5-6-14(18)11(15(12)19)7-9(8-20)10-3-1-2-4-13(10)17/h1-6,9H,7-8,20H2
InChIKeyCXYIYGVZRFRHMP-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.67
Rot. Bonds4

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

3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine (PubChem CID 106271749) 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-(2-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
PubChem CID106271749
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
SMILESNCC(Cc1c(F)ccc(Br)c1F)c1ccccc1Cl
InChIInChI=1S/C15H13BrClF2N/c16-12-5-6-14(18)11(15(12)19)7-9(8-20)10-3-1-2-4-13(10)17/h1-6,9H,7-8,20H2
InChIKeyCXYIYGVZRFRHMP-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

2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
CID 79448638
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
[2-(3-bromo-2,6-difluorophenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 106271954
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
CID 106272227
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-(2-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine (CID 106271749) is 3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine is NCC(Cc1c(F)ccc(Br)c1F)c1ccccc1Cl.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
The InChIKey is CXYIYGVZRFRHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c16-12-5-6-14(18)11(15(12)19)7-9(8-20)10-3-1-2-4-13(10)17/h1-6,9H,7-8,20H2.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-2-(2-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-(2-chlorophenyl)propan-1-amine is sourced from PubChem (CID 106271749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).