1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine

C15H19F3N2O2 — CID 70268106

IUPAC1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine
SMILESCNC1=CN(c2c(C)cc(OC)cc2OCC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O2/c1-10-6-12(21-3)7-13(22-9-15(16,17)18)14(10)20-5-4-11(8-20)19-2/h6-8,19H,4-5,9H2,1-3H3
InChIKeyNCKPHVGCKVAWPN-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.22
Rot. Bonds5

About 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine

1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine (PubChem CID 70268106) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine
PubChem CID70268106
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine
SMILESCNC1=CN(c2c(C)cc(OC)cc2OCC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O2/c1-10-6-12(21-3)7-13(22-9-15(16,17)18)14(10)20-5-4-11(8-20)19-2/h6-8,19H,4-5,9H2,1-3H3
InChIKeyNCKPHVGCKVAWPN-UHFFFAOYSA-N
XLogP3.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole
CID 151033169
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 151815999
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
CID 175018147
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 174764945
3-[[1-(4-methoxy-2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol
CID 19369847
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
CID 121001825
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 155716665

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine?
The IUPAC name of 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine (CID 70268106) is 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine?
The canonical SMILES for 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine is CNC1=CN(c2c(C)cc(OC)cc2OCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine?
The InChIKey is NCKPHVGCKVAWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-6-12(21-3)7-13(22-9-15(16,17)18)14(10)20-5-4-11(8-20)19-2/h6-8,19H,4-5,9H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine?
1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine has a molecular weight of 316.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 70268106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).