[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine

C12H11F3N2O — CID 82245488

IUPAC[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
SMILESCc1cc2cc(OC(F)(F)F)ccc2nc1CN
InChIInChI=1S/C12H11F3N2O/c1-7-4-8-5-9(18-12(13,14)15)2-3-10(8)17-11(7)6-16/h2-5H,6,16H2,1H3
InChIKeyNPDCOGOUQZZWKQ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.90
Rot. Bonds2

About [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine

[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine (PubChem CID 82245488) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
PubChem CID82245488
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
SMILESCc1cc2cc(OC(F)(F)F)ccc2nc1CN
InChIInChI=1S/C12H11F3N2O/c1-7-4-8-5-9(18-12(13,14)15)2-3-10(8)17-11(7)6-16/h2-5H,6,16H2,1H3
InChIKeyNPDCOGOUQZZWKQ-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine
CID 154473055
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 142189252
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide
CID 166243235
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine?
The IUPAC name of [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine (CID 82245488) is [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine is Cc1cc2cc(OC(F)(F)F)ccc2nc1CN.
What is the InChIKey of [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine?
The InChIKey is NPDCOGOUQZZWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7-4-8-5-9(18-12(13,14)15)2-3-10(8)17-11(7)6-16/h2-5H,6,16H2,1H3.
What are the key properties of [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine?
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 82245488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).