N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

C14H14F2N2 — CID 115767649

IUPACN-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14F2N2/c1-10-3-2-4-14(18-10)9-17-8-11-5-12(15)7-13(16)6-11/h2-7,17H,8-9H2,1H3
InChIKeyGBURBKZLXPLPJQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.96
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 115767649) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID115767649
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14F2N2/c1-10-3-2-4-14(18-10)9-17-8-11-5-12(15)7-13(16)6-11/h2-7,17H,8-9H2,1H3
InChIKeyGBURBKZLXPLPJQ-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 106532950
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[(6-methyl-2-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60962305
1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961935
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
N-[(5-bromothiophen-3-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962321
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 107644377
1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962438

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 115767649) is N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNCc2cc(F)cc(F)c2)n1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is GBURBKZLXPLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-10-3-2-4-14(18-10)9-17-8-11-5-12(15)7-13(16)6-11/h2-7,17H,8-9H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 115767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).