1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine

C14H11BrClF2N — CID 107945220

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H11BrClF2N/c15-10-3-9(4-11(16)7-10)14(19)6-8-5-12(17)1-2-13(8)18/h1-5,7,14H,6,19H2
InChIKeyHYNLCZYZUHZTMS-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.62
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine

1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine (PubChem CID 107945220) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
PubChem CID107945220
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H11BrClF2N/c15-10-3-9(4-11(16)7-10)14(19)6-8-5-12(17)1-2-13(8)18/h1-5,7,14H,6,19H2
InChIKeyHYNLCZYZUHZTMS-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107946711
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine (CID 107945220) is 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine is NC(Cc1cc(F)ccc1F)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is HYNLCZYZUHZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-10-3-9(4-11(16)7-10)14(19)6-8-5-12(17)1-2-13(8)18/h1-5,7,14H,6,19H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine has a molecular weight of 346.60 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107945220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).