4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine

C12H17F3N2O — CID 106748590

IUPAC4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCC(C)COc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H17F3N2O/c1-3-4-8(2)7-18-10-5-11(12(13,14)15)17-6-9(10)16/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyDXHGMXQOPZJKIL-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.50
Rot. Bonds5

About 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine

4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748590) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748590
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCC(C)COc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H17F3N2O/c1-3-4-8(2)7-18-10-5-11(12(13,14)15)17-6-9(10)16/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyDXHGMXQOPZJKIL-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
2-(2-methylpentoxy)aniline
CID 45075234
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine
CID 106748589
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
CID 106748571
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748688
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748378
5-(2-methylpentoxy)pyridin-3-amine
CID 103286421

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine (CID 106748590) is 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine is CCCC(C)COc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is DXHGMXQOPZJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-4-8(2)7-18-10-5-11(12(13,14)15)17-6-9(10)16/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine?
4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 262.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).