N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine

C15H16BrFN2O — CID 105391709

IUPACN-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OCc2ccccc2Br)c1F
InChIInChI=1S/C15H16BrFN2O/c1-2-18-9-11-7-8-19-15(14(11)17)20-10-12-5-3-4-6-13(12)16/h3-8,18H,2,9-10H2,1H3
InChIKeyYPYRBCUNKUKICD-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.67
Rot. Bonds6

About N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine

N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine (PubChem CID 105391709) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
PubChem CID105391709
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OCc2ccccc2Br)c1F
InChIInChI=1S/C15H16BrFN2O/c1-2-18-9-11-7-8-19-15(14(11)17)20-10-12-5-3-4-6-13(12)16/h3-8,18H,2,9-10H2,1H3
InChIKeyYPYRBCUNKUKICD-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]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

N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391563
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
2-[(2-bromophenyl)methoxy]-3-fluoropyridine-4-carboxylic acid
CID 105380097
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-[[2-(3-bromo-4-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391727
N-[[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391447
1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
CID 82831544
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391179
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine (CID 105391709) is N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(OCc2ccccc2Br)c1F.
What is the InChIKey of N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
The InChIKey is YPYRBCUNKUKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-2-18-9-11-7-8-19-15(14(11)17)20-10-12-5-3-4-6-13(12)16/h3-8,18H,2,9-10H2,1H3.
What are the key properties of N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine has a molecular weight of 339.21 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105391709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).