N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine

C15H17FN2 — CID 113469694

IUPACN-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-c2ccccc2F)c1
InChIInChI=1S/C15H17FN2/c1-2-7-17-9-12-8-13(11-18-10-12)14-5-3-4-6-15(14)16/h3-6,8,10-11,17H,2,7,9H2,1H3
InChIKeyQOCIFYNYYDHPPJ-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.39
Rot. Bonds5

About N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine

N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 113469694) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID113469694
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-c2ccccc2F)c1
InChIInChI=1S/C15H17FN2/c1-2-7-17-9-12-8-13(11-18-10-12)14-5-3-4-6-15(14)16/h3-6,8,10-11,17H,2,7,9H2,1H3
InChIKeyQOCIFYNYYDHPPJ-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.39
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-(4-bromo-3-chloro-2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 106763291
(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine
CID 142103053
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408556
N-[[5-(2,6-dimethoxyphenyl)-3-pyridinyl]methyl]propan-1-amine
CID 116810952
N-[(3,5-difluoro-4-pyridinyl)methyl]propan-1-amine
CID 165463336
N-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 66099118
N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine
CID 63938964
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 107514107
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
N-[[5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136942512

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine (CID 113469694) is N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cncc(-c2ccccc2F)c1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is QOCIFYNYYDHPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-2-7-17-9-12-8-13(11-18-10-12)14-5-3-4-6-15(14)16/h3-6,8,10-11,17H,2,7,9H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 244.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 113469694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).