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

C15H21F3N2 — CID 107519718

IUPACN'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C1CC1)N(C)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-10(11-3-4-11)20(2)9-14(19)12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11,14H,3-4,9,19H2,1-2H3
InChIKeyNXYLYGRYOPEKPW-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.44
Rot. Bonds5

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

N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107519718) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107519718
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C1CC1)N(C)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-10(11-3-4-11)20(2)9-14(19)12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11,14H,3-4,9,19H2,1-2H3
InChIKeyNXYLYGRYOPEKPW-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521840
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520629
N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521887
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 63467628
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
1-cyclopropyl-N-methyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 87021459

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107519718) is N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CC(C1CC1)N(C)CC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is NXYLYGRYOPEKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10(11-3-4-11)20(2)9-14(19)12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11,14H,3-4,9,19H2,1-2H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107519718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).