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

C15H16F2N2 — CID 107513287

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H16F2N2/c1-10-5-6-12(15(17)14(10)16)13(18-2)8-11-4-3-7-19-9-11/h3-7,9,13,18H,8H2,1-2H3
InChIKeyYFJGNVGIQASAGM-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.17
Rot. Bonds4

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

1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 107513287) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID107513287
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H16F2N2/c1-10-5-6-12(15(17)14(10)16)13(18-2)8-11-4-3-7-19-9-11/h3-7,9,13,18H,8H2,1-2H3
InChIKeyYFJGNVGIQASAGM-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-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034593
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 65313099
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine (CID 107513287) is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine is CNC(Cc1cccnc1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is YFJGNVGIQASAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10-5-6-12(15(17)14(10)16)13(18-2)8-11-4-3-7-19-9-11/h3-7,9,13,18H,8H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine?
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-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-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 107513287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).