2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C15H16F2N2 — CID 104751434

IUPAC2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H16F2N2/c1-11-2-3-13(10-19-11)9-18-5-4-12-6-14(16)8-15(17)7-12/h2-3,6-8,10,18H,4-5,9H2,1H3
InChIKeyMLRUULZKYOPOKH-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.00
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 104751434) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID104751434
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H16F2N2/c1-11-2-3-13(10-19-11)9-18-5-4-12-6-14(16)8-15(17)7-12/h2-3,6-8,10,18H,4-5,9H2,1H3
InChIKeyMLRUULZKYOPOKH-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.00
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

2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747301
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine
CID 62603701
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
CID 145198308
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62615069
5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536124

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 104751434) is 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccc(CNCCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is MLRUULZKYOPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-11-2-3-13(10-19-11)9-18-5-4-12-6-14(16)8-15(17)7-12/h2-3,6-8,10,18H,4-5,9H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 262.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104751434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).