[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol

C16H25NO — CID 64745873

IUPAC[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCC(C)C(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-12-4-6-15(7-5-12)17-16(11-18)9-8-13(2)14(3)10-16/h4-7,13-14,17-18H,8-11H2,1-3H3
InChIKeyBENLCGXEJUCQBL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds3

About [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol

[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol (PubChem CID 64745873) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
PubChem CID64745873
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCC(C)C(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-12-4-6-15(7-5-12)17-16(11-18)9-8-13(2)14(3)10-16/h4-7,13-14,17-18H,8-11H2,1-3H3
InChIKeyBENLCGXEJUCQBL-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
The IUPAC name of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol (CID 64745873) is [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol.
What is the SMILES notation for [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
The canonical SMILES for [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol is Cc1ccc(NC2(CO)CCC(C)C(C)C2)cc1.
What is the InChIKey of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
The InChIKey is BENLCGXEJUCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-6-15(7-5-12)17-16(11-18)9-8-13(2)14(3)10-16/h4-7,13-14,17-18H,8-11H2,1-3H3.
What are the key properties of [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol?
[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol is sourced from PubChem (CID 64745873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).