2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C9H13FN2 — CID 80695988

IUPAC2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCF)cn1
InChIInChI=1S/C9H13FN2/c1-8-2-3-9(7-12-8)6-11-5-4-10/h2-3,7,11H,4-6H2,1H3
InChIKeyYNJGKDZOMWTSFK-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.45
Rot. Bonds4

About 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 80695988) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID80695988
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCF)cn1
InChIInChI=1S/C9H13FN2/c1-8-2-3-9(7-12-8)6-11-5-4-10/h2-3,7,11H,4-6H2,1H3
InChIKeyYNJGKDZOMWTSFK-UHFFFAOYSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
CID 145198308
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile
CID 62996744
2,2-dimethyl-4-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 65247657
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
N-[(6-methyl-3-pyridinyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 104755850
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 104756480
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 80695988) is 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccc(CNCCF)cn1.
What is the InChIKey of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is YNJGKDZOMWTSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-8-2-3-9(7-12-8)6-11-5-4-10/h2-3,7,11H,4-6H2,1H3.
What are the key properties of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 168.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80695988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).