2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol

C19H31NO — CID 104575780

IUPAC2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
SMILESCC(C)(C)C1CCC(C(CO)NCc2ccccc2)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-11-9-16(10-12-17)18(14-21)20-13-15-7-5-4-6-8-15/h4-8,16-18,20-21H,9-14H2,1-3H3
InChIKeyDCWNEGLLKVYEAG-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.99
Rot. Bonds5

About 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol

2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol (PubChem CID 104575780) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
PubChem CID104575780
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
SMILESCC(C)(C)C1CCC(C(CO)NCc2ccccc2)CC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-11-9-16(10-12-17)18(14-21)20-13-15-7-5-4-6-8-15/h4-8,16-18,20-21H,9-14H2,1-3H3
InChIKeyDCWNEGLLKVYEAG-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol?
The IUPAC name of 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol (CID 104575780) is 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol?
The canonical SMILES for 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol is CC(C)(C)C1CCC(C(CO)NCc2ccccc2)CC1.
What is the InChIKey of 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol?
The InChIKey is DCWNEGLLKVYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)17-11-9-16(10-12-17)18(14-21)20-13-15-7-5-4-6-8-15/h4-8,16-18,20-21H,9-14H2,1-3H3.
What are the key properties of 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol?
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol is sourced from PubChem (CID 104575780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).