N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

C16H19FN2 — CID 115374247

IUPACN-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-3-7-19-16(13-5-4-6-15(17)9-13)14-8-12(2)10-18-11-14/h4-6,8-11,16,19H,3,7H2,1-2H3
InChIKeyDHLDQNYOISUXAY-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.62
Rot. Bonds5

About N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115374247) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115374247
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-3-7-19-16(13-5-4-6-15(17)9-13)14-8-12(2)10-18-11-14/h4-6,8-11,16,19H,3,7H2,1-2H3
InChIKeyDHLDQNYOISUXAY-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
N-[(4-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107994731
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374969
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chloro-2-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107102936
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115374247) is N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is DHLDQNYOISUXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-7-19-16(13-5-4-6-15(17)9-13)14-8-12(2)10-18-11-14/h4-6,8-11,16,19H,3,7H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115374247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).