6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine

C16H17F3N2O3 — CID 75435934

IUPAC6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)nc2)c(OC)c1OC
InChIInChI=1S/C16H17F3N2O3/c1-22-12-6-4-10(14(23-2)15(12)24-3)8-20-11-5-7-13(21-9-11)16(17,18)19/h4-7,9,20H,8H2,1-3H3
InChIKeyXKIZKCNPXMGVAY-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.74
Rot. Bonds6

About 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine

6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 75435934) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID75435934
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2ccc(C(F)(F)F)nc2)c(OC)c1OC
InChIInChI=1S/C16H17F3N2O3/c1-22-12-6-4-10(14(23-2)15(12)24-3)8-20-11-5-7-13(21-9-11)16(17,18)19/h4-7,9,20H,8H2,1-3H3
InChIKeyXKIZKCNPXMGVAY-UHFFFAOYSA-N
XLogP3.74
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60507202
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811775
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 171154855
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
3-methyl-4-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 60507459

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine (CID 75435934) is 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine is COc1ccc(CNc2ccc(C(F)(F)F)nc2)c(OC)c1OC.
What is the InChIKey of 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is XKIZKCNPXMGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-22-12-6-4-10(14(23-2)15(12)24-3)8-20-11-5-7-13(21-9-11)16(17,18)19/h4-7,9,20H,8H2,1-3H3.
What are the key properties of 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 342.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 75435934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).