2-[benzyl(2-ethylhexyl)amino]ethanol

C17H29NO — CID 55192095

IUPAC2-[benzyl(2-ethylhexyl)amino]ethanol
SMILESCCCCC(CC)CN(CCO)Cc1ccccc1
InChIInChI=1S/C17H29NO/c1-3-5-9-16(4-2)14-18(12-13-19)15-17-10-7-6-8-11-17/h6-8,10-11,16,19H,3-5,9,12-15H2,1-2H3
InChIKeyMMHKPFQITTUMRU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds10

About 2-[benzyl(2-ethylhexyl)amino]ethanol

2-[benzyl(2-ethylhexyl)amino]ethanol (PubChem CID 55192095) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[benzyl(2-ethylhexyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(2-ethylhexyl)amino]ethanol
PubChem CID55192095
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[benzyl(2-ethylhexyl)amino]ethanol
SMILESCCCCC(CC)CN(CCO)Cc1ccccc1
InChIInChI=1S/C17H29NO/c1-3-5-9-16(4-2)14-18(12-13-19)15-17-10-7-6-8-11-17/h6-8,10-11,16,19H,3-5,9,12-15H2,1-2H3
InChIKeyMMHKPFQITTUMRU-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
CID 6425935
2-[benzyl(nonyl)amino]ethanol
CID 63469962
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
7-[benzyl(2-hydroxyethyl)amino]heptane-1,6-diol
CID 54202993
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-ethylhexyl)amino]ethanol?
The IUPAC name of 2-[benzyl(2-ethylhexyl)amino]ethanol (CID 55192095) is 2-[benzyl(2-ethylhexyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(2-ethylhexyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(2-ethylhexyl)amino]ethanol is CCCCC(CC)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-ethylhexyl)amino]ethanol?
The InChIKey is MMHKPFQITTUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-9-16(4-2)14-18(12-13-19)15-17-10-7-6-8-11-17/h6-8,10-11,16,19H,3-5,9,12-15H2,1-2H3.
What are the key properties of 2-[benzyl(2-ethylhexyl)amino]ethanol?
2-[benzyl(2-ethylhexyl)amino]ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-ethylhexyl)amino]ethanol is sourced from PubChem (CID 55192095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).