2-[benzyl(cyclohexylmethyl)amino]ethanol

C16H25NO — CID 783424

IUPAC2-[benzyl(cyclohexylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C16H25NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1,3-4,7-8,16,18H,2,5-6,9-14H2
InChIKeyRZWUHDHJWWDPDK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds6

About 2-[benzyl(cyclohexylmethyl)amino]ethanol

2-[benzyl(cyclohexylmethyl)amino]ethanol (PubChem CID 783424) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[benzyl(cyclohexylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(cyclohexylmethyl)amino]ethanol
PubChem CID783424
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[benzyl(cyclohexylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C16H25NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1,3-4,7-8,16,18H,2,5-6,9-14H2
InChIKeyRZWUHDHJWWDPDK-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclohexylmethyl)amino]ethanol?
The IUPAC name of 2-[benzyl(cyclohexylmethyl)amino]ethanol (CID 783424) is 2-[benzyl(cyclohexylmethyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(cyclohexylmethyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(cyclohexylmethyl)amino]ethanol is OCCN(Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of 2-[benzyl(cyclohexylmethyl)amino]ethanol?
The InChIKey is RZWUHDHJWWDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1,3-4,7-8,16,18H,2,5-6,9-14H2.
What are the key properties of 2-[benzyl(cyclohexylmethyl)amino]ethanol?
2-[benzyl(cyclohexylmethyl)amino]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclohexylmethyl)amino]ethanol is sourced from PubChem (CID 783424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).