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

C14H14F2N2 — CID 60956581

IUPACN-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(CNCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H14F2N2/c1-10-2-3-11(8-18-10)7-17-9-12-6-13(15)4-5-14(12)16/h2-6,8,17H,7,9H2,1H3
InChIKeyLBNROHBWIQGENQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.96
Rot. Bonds4

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

N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 60956581) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID60956581
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(CNCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H14F2N2/c1-10-2-3-11(8-18-10)7-17-9-12-6-13(15)4-5-14(12)16/h2-6,8,17H,7,9H2,1H3
InChIKeyLBNROHBWIQGENQ-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

4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756513
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62049325
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
CID 66362951
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (CID 60956581) is N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(CNCc2cc(F)ccc2F)cn1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is LBNROHBWIQGENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-10-2-3-11(8-18-10)7-17-9-12-6-13(15)4-5-14(12)16/h2-6,8,17H,7,9H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-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-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 60956581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).