N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H21F3N2O — CID 107521887

IUPACN'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC1OCCC1N(C)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10-14(7-8-21-10)20(2)9-13(19)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14H,7-9,19H2,1-2H3
InChIKeyAYUISPBKEJBTSV-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.81
Rot. Bonds4

About N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107521887) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107521887
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC1OCCC1N(C)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10-14(7-8-21-10)20(2)9-13(19)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14H,7-9,19H2,1-2H3
InChIKeyAYUISPBKEJBTSV-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 107521878
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107519718
N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520629
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521840
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107521951
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107521887) is N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CC1OCCC1N(C)CC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is AYUISPBKEJBTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10-14(7-8-21-10)20(2)9-13(19)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14H,7-9,19H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 302.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107521887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).