2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol

C17H23NO — CID 142935563

IUPAC2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol
SMILESCC1(C)CC=CC(c2ccc(NCCO)cc2)=CC1
InChIInChI=1S/C17H23NO/c1-17(2)10-3-4-14(9-11-17)15-5-7-16(8-6-15)18-12-13-19/h3-9,18-19H,10-13H2,1-2H3
InChIKeyZSGMEYBFSKRNHY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol

2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol (PubChem CID 142935563) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol
PubChem CID142935563
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol
SMILESCC1(C)CC=CC(c2ccc(NCCO)cc2)=CC1
InChIInChI=1S/C17H23NO/c1-17(2)10-3-4-14(9-11-17)15-5-7-16(8-6-15)18-12-13-19/h3-9,18-19H,10-13H2,1-2H3
InChIKeyZSGMEYBFSKRNHY-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol 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-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol?
The IUPAC name of 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol (CID 142935563) is 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol is CC1(C)CC=CC(c2ccc(NCCO)cc2)=CC1.
What is the InChIKey of 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol?
The InChIKey is ZSGMEYBFSKRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2)10-3-4-14(9-11-17)15-5-7-16(8-6-15)18-12-13-19/h3-9,18-19H,10-13H2,1-2H3.
What are the key properties of 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol?
2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol has a molecular weight of 257.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethylcyclohepta-1,6-dien-1-yl)anilino]ethanol is sourced from PubChem (CID 142935563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).