2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline

C17H24N2O — CID 58994529

IUPAC2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(CN2CCOCC2)cc1C1=CCCCC1
InChIInChI=1S/C17H24N2O/c18-17-7-6-14(13-19-8-10-20-11-9-19)12-16(17)15-4-2-1-3-5-15/h4,6-7,12H,1-3,5,8-11,13,18H2
InChIKeyAILUPKQQLQQDEZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds3

About 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline

2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline (PubChem CID 58994529) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline
PubChem CID58994529
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(CN2CCOCC2)cc1C1=CCCCC1
InChIInChI=1S/C17H24N2O/c18-17-7-6-14(13-19-8-10-20-11-9-19)12-16(17)15-4-2-1-3-5-15/h4,6-7,12H,1-3,5,8-11,13,18H2
InChIKeyAILUPKQQLQQDEZ-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline 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 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline (CID 58994529) is 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline is Nc1ccc(CN2CCOCC2)cc1C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is AILUPKQQLQQDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-17-7-6-14(13-19-8-10-20-11-9-19)12-16(17)15-4-2-1-3-5-15/h4,6-7,12H,1-3,5,8-11,13,18H2.
What are the key properties of 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline?
2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 272.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 58994529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).