2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C15H17FN2O — CID 63991750

IUPAC2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O/c1-19-15-4-2-3-14(18-15)11-17-10-9-12-5-7-13(16)8-6-12/h2-8,17H,9-11H2,1H3
InChIKeyKUTPNONTBINGJX-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 63991750) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID63991750
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O/c1-19-15-4-2-3-14(18-15)11-17-10-9-12-5-7-13(16)8-6-12/h2-8,17H,9-11H2,1H3
InChIKeyKUTPNONTBINGJX-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-[(6-methoxy-2-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688976
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111232770
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 103527080
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
1-[2-(4-chlorophenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111197035

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 63991750) is 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CNCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is KUTPNONTBINGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-15-4-2-3-14(18-15)11-17-10-9-12-5-7-13(16)8-6-12/h2-8,17H,9-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine 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 2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63991750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).