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

C15H16ClFN2O — CID 105391563

IUPACN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H16ClFN2O/c1-2-18-9-12-7-8-19-15(14(12)17)20-10-11-3-5-13(16)6-4-11/h3-8,18H,2,9-10H2,1H3
InChIKeyLHRRPIJTJAFJJA-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.56
Rot. Bonds6

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

N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine (PubChem CID 105391563) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
PubChem CID105391563
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H16ClFN2O/c1-2-18-9-12-7-8-19-15(14(12)17)20-10-11-3-5-13(16)6-4-11/h3-8,18H,2,9-10H2,1H3
InChIKeyLHRRPIJTJAFJJA-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391562
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391560
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
N-[[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391447
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049
N-[[2-(3-bromo-4-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391727
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine (CID 105391563) is N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(OCc2ccc(Cl)cc2)c1F.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
The InChIKey is LHRRPIJTJAFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-18-9-12-7-8-19-15(14(12)17)20-10-11-3-5-13(16)6-4-11/h3-8,18H,2,9-10H2,1H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine?
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine has a molecular weight of 294.76 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105391563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).