1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine

C14H12BrClFN — CID 102857503

IUPAC1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFN/c15-11-6-4-9(5-7-11)13(18)8-10-2-1-3-12(16)14(10)17/h1-7,13H,8,18H2
InChIKeySZAGSUPKSYBJTP-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine

1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine (PubChem CID 102857503) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
PubChem CID102857503
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClFN/c15-11-6-4-9(5-7-11)13(18)8-10-2-1-3-12(16)14(10)17/h1-7,13H,8,18H2
InChIKeySZAGSUPKSYBJTP-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(4-bromophenyl)-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863681
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863663
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine (CID 102857503) is 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine is NC(Cc1cccc(Cl)c1F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
The InChIKey is SZAGSUPKSYBJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-11-6-4-9(5-7-11)13(18)8-10-2-1-3-12(16)14(10)17/h1-7,13H,8,18H2.
What are the key properties of 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine?
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine has a molecular weight of 328.61 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 102857503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).