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

C15H23F3N2 — CID 107520629

IUPACN'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(CC(N)c1ccc(C(F)(F)F)cc1)CC(C)(C)C
InChIInChI=1S/C15H23F3N2/c1-14(2,3)10-20(4)9-13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8,13H,9-10,19H2,1-4H3
InChIKeyRXHCGXSVSZVNQC-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.68
Rot. Bonds4

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

N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107520629) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107520629
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(CC(N)c1ccc(C(F)(F)F)cc1)CC(C)(C)C
InChIInChI=1S/C15H23F3N2/c1-14(2,3)10-20(4)9-13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8,13H,9-10,19H2,1-4H3
InChIKeyRXHCGXSVSZVNQC-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.68
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'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107519718
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
2-tert-butylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65132708
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521887
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107520629) is N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(CC(N)c1ccc(C(F)(F)F)cc1)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is RXHCGXSVSZVNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-14(2,3)10-20(4)9-13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8,13H,9-10,19H2,1-4H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107520629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).