N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine

C14H14F3N3O — CID 133487556

IUPACN-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESCc1ccc(CCNc2ccc(OC(F)(F)F)cn2)cn1
InChIInChI=1S/C14H14F3N3O/c1-10-2-3-11(8-19-10)6-7-18-13-5-4-12(9-20-13)21-14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyKRVMHFWWKQFLCV-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine

N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 133487556) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID133487556
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESCc1ccc(CCNc2ccc(OC(F)(F)F)cn2)cn1
InChIInChI=1S/C14H14F3N3O/c1-10-2-3-11(8-19-10)6-7-18-13-5-4-12(9-20-13)21-14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyKRVMHFWWKQFLCV-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
4,5-dimethyl-2-[6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137274914
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
5-methoxy-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 106503992
2-[2-(6-methyl-3-pyridinyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111802504
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 86816281
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine (CID 133487556) is N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine is Cc1ccc(CCNc2ccc(OC(F)(F)F)cn2)cn1.
What is the InChIKey of N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is KRVMHFWWKQFLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-10-2-3-11(8-19-10)6-7-18-13-5-4-12(9-20-13)21-14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H,18,20).
What are the key properties of N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine?
N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133487556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).