3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine

C16H18F3N3O2 — CID 28818176

IUPAC3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(CCNc2cc(C(F)(F)F)cnc2N)cc1OC
InChIInChI=1S/C16H18F3N3O2/c1-23-13-4-3-10(7-14(13)24-2)5-6-21-12-8-11(16(17,18)19)9-22-15(12)20/h3-4,7-9,21H,5-6H2,1-2H3,(H2,20,22)
InChIKeyZDBRLDZZZYPSIP-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.35
Rot. Bonds6

About 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 28818176) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID28818176
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(CCNc2cc(C(F)(F)F)cnc2N)cc1OC
InChIInChI=1S/C16H18F3N3O2/c1-23-13-4-3-10(7-14(13)24-2)5-6-21-12-8-11(16(17,18)19)9-22-15(12)20/h3-4,7-9,21H,5-6H2,1-2H3,(H2,20,22)
InChIKeyZDBRLDZZZYPSIP-UHFFFAOYSA-N
XLogP3.35
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541781
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 118302959
3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine
CID 98622752
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
4-chloro-2-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115468478
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 155978367
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104532597

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine (CID 28818176) is 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine is COc1ccc(CCNc2cc(C(F)(F)F)cnc2N)cc1OC.
What is the InChIKey of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is ZDBRLDZZZYPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-23-13-4-3-10(7-14(13)24-2)5-6-21-12-8-11(16(17,18)19)9-22-15(12)20/h3-4,7-9,21H,5-6H2,1-2H3,(H2,20,22).
What are the key properties of 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 341.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 28818176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).