1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine

C16H19FN2 — CID 112633068

IUPAC1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ncccc1C)c1ccccc1F
InChIInChI=1S/C16H19FN2/c1-3-15(13-8-4-5-9-14(13)17)19-11-16-12(2)7-6-10-18-16/h4-10,15,19H,3,11H2,1-2H3
InChIKeyPUYAWUNQZQHASX-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine

1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 112633068) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID112633068
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ncccc1C)c1ccccc1F
InChIInChI=1S/C16H19FN2/c1-3-15(13-8-4-5-9-14(13)17)19-11-16-12(2)7-6-10-18-16/h4-10,15,19H,3,11H2,1-2H3
InChIKeyPUYAWUNQZQHASX-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 75441618
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpentan-1-amine
CID 63305743
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79007946
1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
CID 112676980
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine (CID 112633068) is 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine is CCC(NCc1ncccc1C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is PUYAWUNQZQHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-15(13-8-4-5-9-14(13)17)19-11-16-12(2)7-6-10-18-16/h4-10,15,19H,3,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 112633068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).