N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine

C16H19FN2 — CID 105408556

IUPACN-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cncc(F)c2)c1
InChIInChI=1S/C16H19FN2/c1-3-6-18-9-13-5-4-12(2)16(7-13)14-8-15(17)11-19-10-14/h4-5,7-8,10-11,18H,3,6,9H2,1-2H3
InChIKeyJTEBWYAXCNLPQZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.70
Rot. Bonds5

About N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine

N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine (PubChem CID 105408556) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
PubChem CID105408556
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cncc(F)c2)c1
InChIInChI=1S/C16H19FN2/c1-3-6-18-9-13-5-4-12(2)16(7-13)14-8-15(17)11-19-10-14/h4-5,7-8,10-11,18H,3,6,9H2,1-2H3
InChIKeyJTEBWYAXCNLPQZ-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-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 113469694
N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
CID 114254901
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63425094
N-[[3-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447730
N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 105410082
N-[[5-(4-bromo-3-chloro-2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 106763291
N-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 66099118
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446
N-[[3-(3-fluoro-4-pyridinyl)-4-methylphenyl]methyl]ethanamine
CID 105409491
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
CID 79991631
N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
CID 105408843

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine (CID 105408556) is N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-c2cncc(F)c2)c1.
What is the InChIKey of N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine?
The InChIKey is JTEBWYAXCNLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-6-18-9-13-5-4-12(2)16(7-13)14-8-15(17)11-19-10-14/h4-5,7-8,10-11,18H,3,6,9H2,1-2H3.
What are the key properties of N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine?
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]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-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 105408556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).