2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

C20H31NO — CID 22104546

IUPAC2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1cc2c(cc1C)C(O)C(CCN1C(C)CCC1C)CC2
InChIInChI=1S/C20H31NO/c1-13-11-18-8-7-17(20(22)19(18)12-14(13)2)9-10-21-15(3)5-6-16(21)4/h11-12,15-17,20,22H,5-10H2,1-4H3
InChIKeyLXJVZQSNXDZCGF-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.16
Rot. Bonds3

About 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 22104546) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID22104546
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1cc2c(cc1C)C(O)C(CCN1C(C)CCC1C)CC2
InChIInChI=1S/C20H31NO/c1-13-11-18-8-7-17(20(22)19(18)12-14(13)2)9-10-21-15(3)5-6-16(21)4/h11-12,15-17,20,22H,5-10H2,1-4H3
InChIKeyLXJVZQSNXDZCGF-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol 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-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 22104546) is 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is Cc1cc2c(cc1C)C(O)C(CCN1C(C)CCC1C)CC2.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LXJVZQSNXDZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-13-11-18-8-7-17(20(22)19(18)12-14(13)2)9-10-21-15(3)5-6-16(21)4/h11-12,15-17,20,22H,5-10H2,1-4H3.
What are the key properties of 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 301.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 22104546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).