2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol

C15H21NO — CID 171522905

IUPAC2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol
SMILESCCc1ccc2c(c1)CN(CCO)CC21CC1
InChIInChI=1S/C15H21NO/c1-2-12-3-4-14-13(9-12)10-16(7-8-17)11-15(14)5-6-15/h3-4,9,17H,2,5-8,10-11H2,1H3
InChIKeyKDTPOSLLDCCVAG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.09
Rot. Bonds3

About 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol

2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol (PubChem CID 171522905) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol.

Molecular Properties

Compound Name2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol
PubChem CID171522905
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol
SMILESCCc1ccc2c(c1)CN(CCO)CC21CC1
InChIInChI=1S/C15H21NO/c1-2-12-3-4-14-13(9-12)10-16(7-8-17)11-15(14)5-6-15/h3-4,9,17H,2,5-8,10-11H2,1H3
InChIKeyKDTPOSLLDCCVAG-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
CID 176702040
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
2-methyl-6-propylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 170254660
N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine
CID 155362648
2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 156637555
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
3-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-amine
CID 176702451
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
CID 131133727
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol?
The IUPAC name of 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol (CID 171522905) is 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol.
What is the SMILES notation for 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol?
The canonical SMILES for 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol is CCc1ccc2c(c1)CN(CCO)CC21CC1.
What is the InChIKey of 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol?
The InChIKey is KDTPOSLLDCCVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12-3-4-14-13(9-12)10-16(7-8-17)11-15(14)5-6-15/h3-4,9,17H,2,5-8,10-11H2,1H3.
What are the key properties of 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol?
2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol has a molecular weight of 231.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol is sourced from PubChem (CID 171522905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).