ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine

C11H17F3N2O — CID 169238058

IUPACethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
SMILESCC.CC(C)Nc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O.C2H6/c1-6(2)14-8-4-3-7(5-13-8)15-9(10,11)12;1-2/h3-6H,1-2H3,(H,13,14);1-2H3
InChIKeyUGYHKJGDACJVMX-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.83
Rot. Bonds3

About ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine

ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 169238058) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Nameethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID169238058
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Nameethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
SMILESCC.CC(C)Nc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O.C2H6/c1-6(2)14-8-4-3-7(5-13-8)15-9(10,11)12;1-2/h3-6H,1-2H3,(H,13,14);1-2H3
InChIKeyUGYHKJGDACJVMX-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349
2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
CID 114280858
5-(difluoromethyl)-N-propan-2-ylpyridin-2-amine;ethane
CID 169237953
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N-(2-morpholin-4-yl-1-phenylethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488759
N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489757
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005

Frequently Asked Questions

What is the IUPAC name of ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine (CID 169238058) is ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine is CC.CC(C)Nc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is UGYHKJGDACJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.C2H6/c1-6(2)14-8-4-3-7(5-13-8)15-9(10,11)12;1-2/h3-6H,1-2H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine?
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 250.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 169238058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).