2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine

C15H13BrClF2N — CID 106273635

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
SMILESCc1cc(Cl)cc(C(N)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H13BrClF2N/c1-8-4-9(6-10(17)5-8)14(20)7-11-13(18)3-2-12(16)15(11)19/h2-6,14H,7,20H2,1H3
InChIKeyVLQWDECWMXICBF-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.93
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine (PubChem CID 106273635) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
PubChem CID106273635
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
SMILESCc1cc(Cl)cc(C(N)Cc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H13BrClF2N/c1-8-4-9(6-10(17)5-8)14(20)7-11-13(18)3-2-12(16)15(11)19/h2-6,14H,7,20H2,1H3
InChIKeyVLQWDECWMXICBF-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.93
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-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106274038
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
4-[1-amino-2-(3-bromo-2,6-difluorophenyl)ethyl]-N,N-dimethylaniline
CID 106274213
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 106268375
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 106268120

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine (CID 106273635) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine is Cc1cc(Cl)cc(C(N)Cc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
The InChIKey is VLQWDECWMXICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-8-4-9(6-10(17)5-8)14(20)7-11-13(18)3-2-12(16)15(11)19/h2-6,14H,7,20H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine has a molecular weight of 360.63 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine is sourced from PubChem (CID 106273635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).