4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine

C14H13F3N2O — CID 63329883

IUPAC4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESCc1ccncc1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-10-6-7-18-9-12(10)19-8-11-4-2-3-5-13(11)20-14(15,16)17/h2-7,9,19H,8H2,1H3
InChIKeyGIYUATIREUMGAP-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.90
Rot. Bonds4

About 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine

4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 63329883) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID63329883
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESCc1ccncc1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-10-6-7-18-9-12(10)19-8-11-4-2-3-5-13(11)20-14(15,16)17/h2-7,9,19H,8H2,1H3
InChIKeyGIYUATIREUMGAP-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
CID 115045042
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 63329305
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine (CID 63329883) is 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine is Cc1ccncc1NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is GIYUATIREUMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-10-6-7-18-9-12(10)19-8-11-4-2-3-5-13(11)20-14(15,16)17/h2-7,9,19H,8H2,1H3.
What are the key properties of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 282.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 63329883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).