(1-anilino-2,4,4-trimethylcyclohexyl)methanol

C16H25NO — CID 81313938

IUPAC(1-anilino-2,4,4-trimethylcyclohexyl)methanol
SMILESCC1CC(C)(C)CCC1(CO)Nc1ccccc1
InChIInChI=1S/C16H25NO/c1-13-11-15(2,3)9-10-16(13,12-18)17-14-7-5-4-6-8-14/h4-8,13,17-18H,9-12H2,1-3H3
InChIKeyYGNQEDHQODCFGI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds3

About (1-anilino-2,4,4-trimethylcyclohexyl)methanol

(1-anilino-2,4,4-trimethylcyclohexyl)methanol (PubChem CID 81313938) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1-anilino-2,4,4-trimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-anilino-2,4,4-trimethylcyclohexyl)methanol
PubChem CID81313938
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1-anilino-2,4,4-trimethylcyclohexyl)methanol
SMILESCC1CC(C)(C)CCC1(CO)Nc1ccccc1
InChIInChI=1S/C16H25NO/c1-13-11-15(2,3)9-10-16(13,12-18)17-14-7-5-4-6-8-14/h4-8,13,17-18H,9-12H2,1-3H3
InChIKeyYGNQEDHQODCFGI-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-anilino-2,4,4-trimethylcyclohexyl)methanol?
The IUPAC name of (1-anilino-2,4,4-trimethylcyclohexyl)methanol (CID 81313938) is (1-anilino-2,4,4-trimethylcyclohexyl)methanol.
What is the SMILES notation for (1-anilino-2,4,4-trimethylcyclohexyl)methanol?
The canonical SMILES for (1-anilino-2,4,4-trimethylcyclohexyl)methanol is CC1CC(C)(C)CCC1(CO)Nc1ccccc1.
What is the InChIKey of (1-anilino-2,4,4-trimethylcyclohexyl)methanol?
The InChIKey is YGNQEDHQODCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-11-15(2,3)9-10-16(13,12-18)17-14-7-5-4-6-8-14/h4-8,13,17-18H,9-12H2,1-3H3.
What are the key properties of (1-anilino-2,4,4-trimethylcyclohexyl)methanol?
(1-anilino-2,4,4-trimethylcyclohexyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-2,4,4-trimethylcyclohexyl)methanol is sourced from PubChem (CID 81313938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).