N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine

C16H19FN2 — CID 66272311

IUPACN-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cnccc2C)cc1F
InChIInChI=1S/C16H19FN2/c1-3-7-18-10-14-5-4-13(9-16(14)17)15-11-19-8-6-12(15)2/h4-6,8-9,11,18H,3,7,10H2,1-2H3
InChIKeyIYAPOHMIASGQPR-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.70
Rot. Bonds5

About N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine

N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine (PubChem CID 66272311) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
PubChem CID66272311
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cnccc2C)cc1F
InChIInChI=1S/C16H19FN2/c1-3-7-18-10-14-5-4-13(9-16(14)17)15-11-19-8-6-12(15)2/h4-6,8-9,11,18H,3,7,10H2,1-2H3
InChIKeyIYAPOHMIASGQPR-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 66007460
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
N-[[2-fluoro-5-(2,4,5-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 64984782
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[[4-(1-benzothiophen-7-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 81128766
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine (CID 66272311) is N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cnccc2C)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine?
The InChIKey is IYAPOHMIASGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-7-18-10-14-5-4-13(9-16(14)17)15-11-19-8-6-12(15)2/h4-6,8-9,11,18H,3,7,10H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66272311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).