[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

C17H26ClNO — CID 63428390

IUPAC[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC1CCC(C(C)C)C(CO)(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C17H26ClNO/c1-12(2)16-8-7-13(3)10-17(16,11-20)19-15-6-4-5-14(18)9-15/h4-6,9,12-13,16,19-20H,7-8,10-11H2,1-3H3
InChIKeyAPXXTIXLIFLDSF-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.58
Rot. Bonds4

About [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol

[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (PubChem CID 63428390) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
PubChem CID63428390
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC1CCC(C(C)C)C(CO)(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C17H26ClNO/c1-12(2)16-8-7-13(3)10-17(16,11-20)19-15-6-4-5-14(18)9-15/h4-6,9,12-13,16,19-20H,7-8,10-11H2,1-3H3
InChIKeyAPXXTIXLIFLDSF-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

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Related Compounds

[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428170
1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 60798187
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
CID 63428477
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
1-(3-chloroanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563444
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate
CID 64516653
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
1-(3-chloroanilino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088679
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 65316567

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol (CID 63428390) is [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is CC1CCC(C(C)C)C(CO)(Nc2cccc(Cl)c2)C1.
What is the InChIKey of [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is APXXTIXLIFLDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12(2)16-8-7-13(3)10-17(16,11-20)19-15-6-4-5-14(18)9-15/h4-6,9,12-13,16,19-20H,7-8,10-11H2,1-3H3.
What are the key properties of [1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol?
[1-(3-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-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 63428390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).