2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C16H23NO — CID 115002610

IUPAC2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(CNC2CCCC2)CCc2ccccc2C1
InChIInChI=1S/C16H23NO/c18-16(12-17-15-7-3-4-8-15)10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,15,17-18H,3-4,7-12H2
InChIKeyAOLUIMWFJYWZHB-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.44
Rot. Bonds3

About 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol

2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115002610) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115002610
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(CNC2CCCC2)CCc2ccccc2C1
InChIInChI=1S/C16H23NO/c18-16(12-17-15-7-3-4-8-15)10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,15,17-18H,3-4,7-12H2
InChIKeyAOLUIMWFJYWZHB-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-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-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 115002610) is 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(CNC2CCCC2)CCc2ccccc2C1.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is AOLUIMWFJYWZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(12-17-15-7-3-4-8-15)10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,15,17-18H,3-4,7-12H2.
What are the key properties of 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 245.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115002610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).