[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol

C17H26ClNO — CID 63428477

IUPAC[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
SMILESCC(C)(C)C1CCCCC1(CO)Nc1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-16(2,3)15-9-4-5-10-17(15,12-20)19-14-8-6-7-13(18)11-14/h6-8,11,15,19-20H,4-5,9-10,12H2,1-3H3
InChIKeyHTHVNUOVYQBZEE-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.72
Rot. Bonds3

About [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol

[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol (PubChem CID 63428477) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
PubChem CID63428477
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
SMILESCC(C)(C)C1CCCCC1(CO)Nc1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-16(2,3)15-9-4-5-10-17(15,12-20)19-14-8-6-7-13(18)11-14/h6-8,11,15,19-20H,4-5,9-10,12H2,1-3H3
InChIKeyHTHVNUOVYQBZEE-UHFFFAOYSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol 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

(1-anilino-2-tert-butylcyclohexyl)methanol
CID 61046415
[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol
CID 63428046
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428390
[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
CID 64754408
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
CID 64756452
1-(3-chloroanilino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088679
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol?
The IUPAC name of [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol (CID 63428477) is [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol.
What is the SMILES notation for [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol?
The canonical SMILES for [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol is CC(C)(C)C1CCCCC1(CO)Nc1cccc(Cl)c1.
What is the InChIKey of [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol?
The InChIKey is HTHVNUOVYQBZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-16(2,3)15-9-4-5-10-17(15,12-20)19-14-8-6-7-13(18)11-14/h6-8,11,15,19-20H,4-5,9-10,12H2,1-3H3.
What are the key properties of [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol?
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol has a molecular weight of 295.85 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol is sourced from PubChem (CID 63428477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).