2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C15H17FN2 — CID 79267953

IUPAC2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccc(CNCCc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2/c1-12-4-2-7-15(18-12)11-17-9-8-13-5-3-6-14(16)10-13/h2-7,10,17H,8-9,11H2,1H3
InChIKeyMQZSVVGQIVZKAN-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.86
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 79267953) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID79267953
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccc(CNCCc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2/c1-12-4-2-7-15(18-12)11-17-9-8-13-5-3-6-14(16)10-13/h2-7,10,17H,8-9,11H2,1H3
InChIKeyMQZSVVGQIVZKAN-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine
CID 71769669
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
N-[(6-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400795
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
2-(1-methylpyrazol-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114143921
N-[(6-methyl-2-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60962305

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 79267953) is 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccc(CNCCc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is MQZSVVGQIVZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-12-4-2-7-15(18-12)11-17-9-8-13-5-3-6-14(16)10-13/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 244.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 79267953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).