N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine

C14H14BrFN2 — CID 43181011

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccc(F)c(Br)c1)c1ccncc1
InChIInChI=1S/C14H14BrFN2/c1-10(12-4-6-17-7-5-12)18-9-11-2-3-14(16)13(15)8-11/h2-8,10,18H,9H2,1H3
InChIKeyFBGDWVATYNMEFF-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.83
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine

N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 43181011) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID43181011
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccc(F)c(Br)c1)c1ccncc1
InChIInChI=1S/C14H14BrFN2/c1-10(12-4-6-17-7-5-12)18-9-11-2-3-14(16)13(15)8-11/h2-8,10,18H,9H2,1H3
InChIKeyFBGDWVATYNMEFF-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine 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

(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406056
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
1-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 107859065
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine (CID 43181011) is N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1ccc(F)c(Br)c1)c1ccncc1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is FBGDWVATYNMEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-10(12-4-6-17-7-5-12)18-9-11-2-3-14(16)13(15)8-11/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine?
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 309.18 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 43181011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).