N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine

C16H17F3N2O — CID 133401090

IUPACN-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCN(CC1CCCO1)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H17F3N2O/c1-21(10-12-3-2-8-22-12)15-6-7-20-14-9-11(16(17,18)19)4-5-13(14)15/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyVNSFJWLLULFDEZ-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.87
Rot. Bonds3

About N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine

N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133401090) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133401090
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCN(CC1CCCO1)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H17F3N2O/c1-21(10-12-3-2-8-22-12)15-6-7-20-14-9-11(16(17,18)19)4-5-13(14)15/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyVNSFJWLLULFDEZ-UHFFFAOYSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxolan-2-ylmethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702531
N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133412324
4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
CID 83061179
N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177412301
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133433816
N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177479384
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138
4-(bromomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 107081236
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878729

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine (CID 133401090) is N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine is CN(CC1CCCO1)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is VNSFJWLLULFDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-21(10-12-3-2-8-22-12)15-6-7-20-14-9-11(16(17,18)19)4-5-13(14)15/h4-7,9,12H,2-3,8,10H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine?
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 310.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133401090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).