1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

C14H14F2N2 — CID 114698678

IUPAC1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cnccc1CNCc1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2/c1-10-7-17-5-4-12(10)9-18-8-11-2-3-13(15)14(16)6-11/h2-7,18H,8-9H2,1H3
InChIKeyCQTSGQUDWZVYRE-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.96
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (PubChem CID 114698678) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
PubChem CID114698678
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cnccc1CNCc1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2/c1-10-7-17-5-4-12(10)9-18-8-11-2-3-13(15)14(16)6-11/h2-7,18H,8-9H2,1H3
InChIKeyCQTSGQUDWZVYRE-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

2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-(4-methyl-3-nitrophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699228
N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699033
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (CID 114698678) is 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is Cc1cnccc1CNCc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The InChIKey is CQTSGQUDWZVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-10-7-17-5-4-12(10)9-18-8-11-2-3-13(15)14(16)6-11/h2-7,18H,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]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 1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114698678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).