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

C13H19F3N2O — CID 61427131

IUPACN-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCOCCN(C)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O/c1-18(7-8-19-2)12(9-17)10-3-5-11(6-4-10)13(14,15)16/h3-6,12H,7-9,17H2,1-2H3
InChIKeyUMHAEWVSNJENBD-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.28
Rot. Bonds6

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

N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 61427131) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID61427131
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCOCCN(C)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O/c1-18(7-8-19-2)12(9-17)10-3-5-11(6-4-10)13(14,15)16/h3-6,12H,7-9,17H2,1-2H3
InChIKeyUMHAEWVSNJENBD-UHFFFAOYSA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693245
1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466
1-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427687
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
1-[4-(difluoromethoxy)phenyl]-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62983749
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43265565
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 114842967

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 61427131) is N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is COCCN(C)C(CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is UMHAEWVSNJENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-18(7-8-19-2)12(9-17)10-3-5-11(6-4-10)13(14,15)16/h3-6,12H,7-9,17H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 276.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 61427131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).