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

C15H17FN2O — CID 105391179

IUPACN-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cccc(C)c2)c1F
InChIInChI=1S/C15H17FN2O/c1-3-17-10-12-7-8-18-15(14(12)16)19-13-6-4-5-11(2)9-13/h4-9,17H,3,10H2,1-2H3
InChIKeyRIENWSBDEKFHRL-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.43
Rot. Bonds5

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

N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105391179) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105391179
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cccc(C)c2)c1F
InChIInChI=1S/C15H17FN2O/c1-3-17-10-12-7-8-18-15(14(12)16)19-13-6-4-5-11(2)9-13/h4-9,17H,3,10H2,1-2H3
InChIKeyRIENWSBDEKFHRL-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166
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
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391771
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 105391179) is N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2cccc(C)c2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is RIENWSBDEKFHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-17-10-12-7-8-18-15(14(12)16)19-13-6-4-5-11(2)9-13/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105391179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).