2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride

C12H23Cl2NO — CID 24870737

IUPAC2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride
SMILESCC(C)(C)NCC(O)C1=C(Cl)CCCC1.Cl
InChIInChI=1S/C12H22ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h11,14-15H,4-8H2,1-3H3;1H
InChIKeyVZAXDYLNJIKAAK-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.22
Rot. Bonds3

About 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride

2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride (PubChem CID 24870737) has the molecular formula C12H23Cl2NO and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride
PubChem CID24870737
Molecular FormulaC12H23Cl2NO
Molecular Weight268.23 g/mol
Exact Mass267.12
IUPAC Name2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride
SMILESCC(C)(C)NCC(O)C1=C(Cl)CCCC1.Cl
InChIInChI=1S/C12H22ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h11,14-15H,4-8H2,1-3H3;1H
InChIKeyVZAXDYLNJIKAAK-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol
CID 24870738
1-(Cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol
CID 106654888
2-(Tert-butylamino)-1-(cyclohexen-1-yl)ethanol
CID 106654894
2-(Tert-butylamino)-1-(cyclohepten-1-yl)ethanol
CID 106654895
2-(Tert-butylamino)-1-(cycloocten-1-yl)ethanol
CID 106654896

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride (CID 24870737) is 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride is CC(C)(C)NCC(O)C1=C(Cl)CCCC1.Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride?
The InChIKey is VZAXDYLNJIKAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h11,14-15H,4-8H2,1-3H3;1H.
What are the key properties of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride?
2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride has a molecular weight of 268.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 24870737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).