1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine

C15H16F2N2O — CID 82918461

IUPAC1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(C)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-3-6-15(14(19-10)8-18-2)20-9-11-4-5-12(16)13(17)7-11/h3-7,18H,8-9H2,1-2H3
InChIKeyNWWQQOWXKCMVEX-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine

1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine (PubChem CID 82918461) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
PubChem CID82918461
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(C)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-3-6-15(14(19-10)8-18-2)20-9-11-4-5-12(16)13(17)7-11/h3-7,18H,8-9H2,1-2H3
InChIKeyNWWQQOWXKCMVEX-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-methoxyphenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79150973
1-[3-[(3-bromo-5-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79710901
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150580
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 107881290
N-methyl-1-[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150645
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[6-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-N-methylmethanamine
CID 103175609
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine
CID 79151354

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine (CID 82918461) is 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine is CNCc1nc(C)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
The InChIKey is NWWQQOWXKCMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-3-6-15(14(19-10)8-18-2)20-9-11-4-5-12(16)13(17)7-11/h3-7,18H,8-9H2,1-2H3.
What are the key properties of 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine?
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine has a molecular weight of 278.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 82918461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).