N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine

C9H19F3N2O — CID 103366414

IUPACN'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCOCCN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-15-5-4-14(2)7-8(6-13)9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyBYDDKIRZHORXCA-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.09
Rot. Bonds7

About N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine

N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366414) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366414
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCOCCN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-15-5-4-14(2)7-8(6-13)9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyBYDDKIRZHORXCA-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366119
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
N-(2-ethoxyethyl)-N,2-dimethylpentane-1,5-diamine
CID 104682346
2-(trifluoromethyl)butan-1-amine
CID 10351789
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
CID 112561814
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine (CID 103366414) is N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine is CCOCCN(C)CC(CN)C(F)(F)F.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is BYDDKIRZHORXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-15-5-4-14(2)7-8(6-13)9(10,11)12/h8H,3-7,13H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).