N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine

C10H21F3N2O — CID 103366264

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCN(CC(CN)C(F)(F)F)C(C)COC
InChIInChI=1S/C10H21F3N2O/c1-4-15(8(2)7-16-3)6-9(5-14)10(11,12)13/h8-9H,4-7,14H2,1-3H3
InChIKeyPYLIWYIKWHEGIE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.48
Rot. Bonds7

About N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366264) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366264
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCN(CC(CN)C(F)(F)F)C(C)COC
InChIInChI=1S/C10H21F3N2O/c1-4-15(8(2)7-16-3)6-9(5-14)10(11,12)13/h8-9H,4-7,14H2,1-3H3
InChIKeyPYLIWYIKWHEGIE-UHFFFAOYSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-2-methoxy-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 106114714
N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
CID 63619186
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
CID 64997501
2-(trifluoromethyl)butan-1-amine
CID 10351789
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
CID 106447048
N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366414
N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62427389
N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366119
3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
CID 61444704
2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 43312489
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethylpropane-1,2-diamine
CID 86775689
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366264) is N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine is CCN(CC(CN)C(F)(F)F)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is PYLIWYIKWHEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-4-15(8(2)7-16-3)6-9(5-14)10(11,12)13/h8-9H,4-7,14H2,1-3H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).