3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine

C16H16ClF3N2O3 — CID 60507202

IUPAC3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC
InChIInChI=1S/C16H16ClF3N2O3/c1-23-12-5-4-9(13(24-2)14(12)25-3)7-21-15-11(17)6-10(8-22-15)16(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22)
InChIKeyWLVJLUSOSFOXEN-UHFFFAOYSA-N
MW376.76 g/mol
LogP4.39
Rot. Bonds6

About 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine

3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine (PubChem CID 60507202) has the molecular formula C16H16ClF3N2O3 and a molecular weight of 376.76 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
PubChem CID60507202
Molecular FormulaC16H16ClF3N2O3
Molecular Weight376.76 g/mol
Exact Mass376.08
IUPAC Name3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC
InChIInChI=1S/C16H16ClF3N2O3/c1-23-12-5-4-9(13(24-2)14(12)25-3)7-21-15-11(17)6-10(8-22-15)16(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22)
InChIKeyWLVJLUSOSFOXEN-UHFFFAOYSA-N
XLogP4.39
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.76
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine with MolForge

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Related Compounds

3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6143287
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82737497
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6165867
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine (CID 60507202) is 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is WLVJLUSOSFOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O3/c1-23-12-5-4-9(13(24-2)14(12)25-3)7-21-15-11(17)6-10(8-22-15)16(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 376.76 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 60507202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).