N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine

C15H17FN2 — CID 114060229

IUPACN-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(F)cc1-c1ccccn1
InChIInChI=1S/C15H17FN2/c1-2-8-17-11-12-6-7-13(16)10-14(12)15-5-3-4-9-18-15/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyQNLUXEPMTZXQPP-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.39
Rot. Bonds5

About N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine

N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine (PubChem CID 114060229) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine
PubChem CID114060229
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(F)cc1-c1ccccn1
InChIInChI=1S/C15H17FN2/c1-2-8-17-11-12-6-7-13(16)10-14(12)15-5-3-4-9-18-15/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyQNLUXEPMTZXQPP-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-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 55240383
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
N-[[4-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395768
N-[[2-(3-bromothiophen-2-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 114060312
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63273146
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102986344
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
CID 81230157
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine (CID 114060229) is N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(F)cc1-c1ccccn1.
What is the InChIKey of N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is QNLUXEPMTZXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-2-8-17-11-12-6-7-13(16)10-14(12)15-5-3-4-9-18-15/h3-7,9-10,17H,2,8,11H2,1H3.
What are the key properties of N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine?
N-[(4-fluoro-2-pyridin-2-ylphenyl)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-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114060229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).