1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine

C14H16FN3O — CID 83118259

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ncccc1CNC(C)c1ccc(F)cn1
InChIInChI=1S/C14H16FN3O/c1-10(13-6-5-12(15)9-18-13)17-8-11-4-3-7-16-14(11)19-2/h3-7,9-10,17H,8H2,1-2H3
InChIKeyQMRQOWKBLLNDHW-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine

1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 83118259) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID83118259
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ncccc1CNC(C)c1ccc(F)cn1
InChIInChI=1S/C14H16FN3O/c1-10(13-6-5-12(15)9-18-13)17-8-11-4-3-7-16-14(11)19-2/h3-7,9-10,17H,8H2,1-2H3
InChIKeyQMRQOWKBLLNDHW-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83118923
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 103777325
6-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(2-methoxy-3-pyridinyl)pyridine-2,6-diamine
CID 90409649

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 83118259) is 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is COc1ncccc1CNC(C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is QMRQOWKBLLNDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10(13-6-5-12(15)9-18-13)17-8-11-4-3-7-16-14(11)19-2/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 83118259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).