1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H19F3N2 — CID 60890798

IUPAC1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)CC(F)(F)F)cc1C
InChIInChI=1S/C13H19F3N2/c1-9-4-5-11(6-10(9)2)12(17)7-18(3)8-13(14,15)16/h4-6,12H,7-8,17H2,1-3H3
InChIKeyAUDQMHPEOBYAIC-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.80
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 60890798) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID60890798
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)CC(F)(F)F)cc1C
InChIInChI=1S/C13H19F3N2/c1-9-4-5-11(6-10(9)2)12(17)7-18(3)8-13(14,15)16/h4-6,12H,7-8,17H2,1-3H3
InChIKeyAUDQMHPEOBYAIC-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
(1R)-1-(3,4-dimethylphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200486
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
1-(2-methoxy-5-methylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891376
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520629
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 60890798) is 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)CC(F)(F)F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is AUDQMHPEOBYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9-4-5-11(6-10(9)2)12(17)7-18(3)8-13(14,15)16/h4-6,12H,7-8,17H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 60890798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).