5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine

C20H27NO — CID 90037592

IUPAC5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine
SMILESCC(C)(C)C1CCC(Oc2cccc3cc(N)ccc23)CC1
InChIInChI=1S/C20H27NO/c1-20(2,3)15-7-10-17(11-8-15)22-19-6-4-5-14-13-16(21)9-12-18(14)19/h4-6,9,12-13,15,17H,7-8,10-11,21H2,1-3H3
InChIKeyNEWPHNKBYAIGJF-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.41
Rot. Bonds2

About 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine

5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine (PubChem CID 90037592) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine
PubChem CID90037592
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine
SMILESCC(C)(C)C1CCC(Oc2cccc3cc(N)ccc23)CC1
InChIInChI=1S/C20H27NO/c1-20(2,3)15-7-10-17(11-8-15)22-19-6-4-5-14-13-16(21)9-12-18(14)19/h4-6,9,12-13,15,17H,7-8,10-11,21H2,1-3H3
InChIKeyNEWPHNKBYAIGJF-UHFFFAOYSA-N
XLogP5.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine 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 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine (CID 90037592) is 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine is CC(C)(C)C1CCC(Oc2cccc3cc(N)ccc23)CC1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine?
The InChIKey is NEWPHNKBYAIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-20(2,3)15-7-10-17(11-8-15)22-19-6-4-5-14-13-16(21)9-12-18(14)19/h4-6,9,12-13,15,17H,7-8,10-11,21H2,1-3H3.
What are the key properties of 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine?
5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine has a molecular weight of 297.44 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine is sourced from PubChem (CID 90037592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).