N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C17H21FN2O — CID 114345815

IUPACN-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccc(F)cc2C)cn1
InChIInChI=1S/C17H21FN2O/c1-3-8-19-10-16-6-7-17(11-20-16)21-12-14-4-5-15(18)9-13(14)2/h4-7,9,11,19H,3,8,10,12H2,1-2H3
InChIKeyWRALAFUEUJSVAG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.61
Rot. Bonds7

About N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 114345815) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID114345815
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccc(F)cc2C)cn1
InChIInChI=1S/C17H21FN2O/c1-3-8-19-10-16-6-7-17(11-20-16)21-12-14-4-5-15(18)9-13(14)2/h4-7,9,11,19H,3,8,10,12H2,1-2H3
InChIKeyWRALAFUEUJSVAG-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
1-[5-[(5-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105370370
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789244
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 105402630
N-[[5-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781688
N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781446

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 114345815) is N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2ccc(F)cc2C)cn1.
What is the InChIKey of N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is WRALAFUEUJSVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-8-19-10-16-6-7-17(11-20-16)21-12-14-4-5-15(18)9-13(14)2/h4-7,9,11,19H,3,8,10,12H2,1-2H3.
What are the key properties of N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114345815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).