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

C16H19FN2 — CID 114871579

IUPAC1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ncccc1C)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-3-15(13-7-4-8-14(17)10-13)19-11-16-12(2)6-5-9-18-16/h4-10,15,19H,3,11H2,1-2H3
InChIKeyQKUQKVLIKOPVMB-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.77
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 114871579) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID114871579
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ncccc1C)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-3-15(13-7-4-8-14(17)10-13)19-11-16-12(2)6-5-9-18-16/h4-10,15,19H,3,11H2,1-2H3
InChIKeyQKUQKVLIKOPVMB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373
1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112633068
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpentan-1-amine
CID 63305743
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
CID 114871652

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine (CID 114871579) is 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine is CCC(NCc1ncccc1C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is QKUQKVLIKOPVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-15(13-7-4-8-14(17)10-13)19-11-16-12(2)6-5-9-18-16/h4-10,15,19H,3,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine?
1-(3-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-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114871579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).