N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine

C15H17FN2O — CID 102876230

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(CNCCc2ccccn2)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-19-14-6-5-12(15(16)10-14)11-17-9-7-13-4-2-3-8-18-13/h2-6,8,10,17H,7,9,11H2,1H3
InChIKeyWKRQWQCHNYPYFR-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.56
Rot. Bonds6

About N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 102876230) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID102876230
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(CNCCc2ccccn2)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-19-14-6-5-12(15(16)10-14)11-17-9-7-13-4-2-3-8-18-13/h2-6,8,10,17H,7,9,11H2,1H3
InChIKeyWKRQWQCHNYPYFR-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.56
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-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045046
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 43220632
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829548
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119108501
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine (CID 102876230) is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine is COc1ccc(CNCCc2ccccn2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is WKRQWQCHNYPYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-14-6-5-12(15(16)10-14)11-17-9-7-13-4-2-3-8-18-13/h2-6,8,10,17H,7,9,11H2,1H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 102876230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).