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

C15H23F3N2O — CID 107521840

IUPACN'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C)OCCN(C)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2O/c1-11(2)21-9-8-20(3)10-14(19)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14H,8-10,19H2,1-3H3
InChIKeyXEHGGQNGXGWHRM-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.06
Rot. Bonds7

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

N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107521840) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107521840
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C)OCCN(C)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2O/c1-11(2)21-9-8-20(3)10-14(19)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14H,8-10,19H2,1-3H3
InChIKeyXEHGGQNGXGWHRM-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520629
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107519718
2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107523851
N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521259
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107521840) is N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CC(C)OCCN(C)CC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is XEHGGQNGXGWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-11(2)21-9-8-20(3)10-14(19)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14H,8-10,19H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107521840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).