1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol

C17H25NO — CID 63294204

IUPAC1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
SMILESCC1(C)CCC(NCC(O)C2CC2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-17(2)10-9-15(13-5-3-4-6-14(13)17)18-11-16(19)12-7-8-12/h3-6,12,15-16,18-19H,7-11H2,1-2H3
InChIKeyVBERNRLYQUTUOJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.16
Rot. Bonds4

About 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol

1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol (PubChem CID 63294204) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
PubChem CID63294204
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
SMILESCC1(C)CCC(NCC(O)C2CC2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-17(2)10-9-15(13-5-3-4-6-14(13)17)18-11-16(19)12-7-8-12/h3-6,12,15-16,18-19H,7-11H2,1-2H3
InChIKeyVBERNRLYQUTUOJ-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]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 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol (CID 63294204) is 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol is CC1(C)CCC(NCC(O)C2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol?
The InChIKey is VBERNRLYQUTUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)10-9-15(13-5-3-4-6-14(13)17)18-11-16(19)12-7-8-12/h3-6,12,15-16,18-19H,7-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol?
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol has a molecular weight of 259.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol is sourced from PubChem (CID 63294204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).