1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine

C15H16F2N2 — CID 82814614

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2/c1-10-3-4-12(16)14(15(10)17)13(18-2)9-11-5-7-19-8-6-11/h3-8,13,18H,9H2,1-2H3
InChIKeyXMECXDFPHKCSHQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine

1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 82814614) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID82814614
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2/c1-10-3-4-12(16)14(15(10)17)13(18-2)9-11-5-7-19-8-6-11/h3-8,13,18H,9H2,1-2H3
InChIKeyXMECXDFPHKCSHQ-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,6-difluoro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212355
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 106942393
4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
CID 82818631
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82814752
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842714
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylethanamine
CID 105035152
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine (CID 82814614) is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is XMECXDFPHKCSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10-3-4-12(16)14(15(10)17)13(18-2)9-11-5-7-19-8-6-11/h3-8,13,18H,9H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 262.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 82814614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).