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

C14H11BrF3N — CID 105412511

IUPAC1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H11BrF3N/c15-13-2-1-9(16)7-12(13)14(19)5-8-3-10(17)6-11(18)4-8/h1-4,6-7,14H,5,19H2
InChIKeyZHZNSUXOVHZRKU-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.11
Rot. Bonds3

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

1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine (PubChem CID 105412511) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
PubChem CID105412511
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H11BrF3N/c15-13-2-1-9(16)7-12(13)14(19)5-8-3-10(17)6-11(18)4-8/h1-4,6-7,14H,5,19H2
InChIKeyZHZNSUXOVHZRKU-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine
CID 123767101
1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
CID 107969352
(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130985582
(1S)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130939820
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
CID 115850151
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine (CID 105412511) is 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine is NC(Cc1cc(F)cc(F)c1)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine?
The InChIKey is ZHZNSUXOVHZRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-13-2-1-9(16)7-12(13)14(19)5-8-3-10(17)6-11(18)4-8/h1-4,6-7,14H,5,19H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine?
1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine has a molecular weight of 330.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 105412511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).