[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

C17H26ClNO — CID 63428170

IUPAC[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC1CCC(C(C)C)C(CO)(Nc2ccccc2Cl)C1
InChIInChI=1S/C17H26ClNO/c1-12(2)14-9-8-13(3)10-17(14,11-20)19-16-7-5-4-6-15(16)18/h4-7,12-14,19-20H,8-11H2,1-3H3
InChIKeyHILSVQPTLBUBGD-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.58
Rot. Bonds4

About [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (PubChem CID 63428170) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
PubChem CID63428170
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC1CCC(C(C)C)C(CO)(Nc2ccccc2Cl)C1
InChIInChI=1S/C17H26ClNO/c1-12(2)14-9-8-13(3)10-17(14,11-20)19-16-7-5-4-6-15(16)18/h4-7,12-14,19-20H,8-11H2,1-3H3
InChIKeyHILSVQPTLBUBGD-UHFFFAOYSA-N
XLogP4.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol with MolForge

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Related Compounds

[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428390
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
[1-(2-chloroanilino)-2-methylcyclohexyl]methanol
CID 61048334
[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
CID 107450317
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 61048406
[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
ethyl 1-(2-chloroanilino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64754954
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10925802
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432804
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
CID 116516687

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (CID 63428170) is [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is CC1CCC(C(C)C)C(CO)(Nc2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is HILSVQPTLBUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12(2)14-9-8-13(3)10-17(14,11-20)19-16-7-5-4-6-15(16)18/h4-7,12-14,19-20H,8-11H2,1-3H3.
What are the key properties of [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol has a molecular weight of 295.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 63428170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).