N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine

C16H18F2N2 — CID 107515944

IUPACN-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-4-19-16(12-7-8-20-11(3)9-12)13-6-5-10(2)14(17)15(13)18/h5-9,16,19H,4H2,1-3H3
InChIKeyFTHMUZJLLRGXSY-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.68
Rot. Bonds4

About N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine

N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 107515944) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID107515944
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-4-19-16(12-7-8-20-11(3)9-12)13-6-5-10(2)14(17)15(13)18/h5-9,16,19H,4H2,1-3H3
InChIKeyFTHMUZJLLRGXSY-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 107515352
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(2,3-difluoro-4-methylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 107515330
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755234
N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 107513360
N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63840403

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine (CID 107515944) is N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine is CCNC(c1ccnc(C)c1)c1ccc(C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is FTHMUZJLLRGXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-4-19-16(12-7-8-20-11(3)9-12)13-6-5-10(2)14(17)15(13)18/h5-9,16,19H,4H2,1-3H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 276.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107515944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).