cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol

C16H25NO — CID 70689436

IUPACcis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-15(2)9-14(18)10-16(3,11-15)12-17-13-7-5-4-6-8-13/h4-8,14,17-18H,9-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyJWEIHFJNWQTSSS-HOCLYGCPSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds3

About cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol

cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol (PubChem CID 70689436) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
PubChem CID70689436
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namecis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-15(2)9-14(18)10-16(3,11-15)12-17-13-7-5-4-6-8-13/h4-8,14,17-18H,9-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyJWEIHFJNWQTSSS-HOCLYGCPSA-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

Analyze cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol (CID 70689436) is cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol is CC1(C)C[C@H](O)C[C@](C)(CNc2ccccc2)C1.
What is the InChIKey of cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol?
The InChIKey is JWEIHFJNWQTSSS-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)9-14(18)10-16(3,11-15)12-17-13-7-5-4-6-8-13/h4-8,14,17-18H,9-12H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol?
cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol 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 cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 70689436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).