1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol

C15H21NO2 — CID 103715911

IUPAC1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol
SMILESNCC1(C2(O)CCc3ccccc32)CCCOC1
InChIInChI=1S/C15H21NO2/c16-10-14(7-3-9-18-11-14)15(17)8-6-12-4-1-2-5-13(12)15/h1-2,4-5,17H,3,6-11,16H2
InChIKeyJTBZRDMKSDBZAQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.58
Rot. Bonds2

About 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol

1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol (PubChem CID 103715911) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol
PubChem CID103715911
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol
SMILESNCC1(C2(O)CCc3ccccc32)CCCOC1
InChIInChI=1S/C15H21NO2/c16-10-14(7-3-9-18-11-14)15(17)8-6-12-4-1-2-5-13(12)15/h1-2,4-5,17H,3,6-11,16H2
InChIKeyJTBZRDMKSDBZAQ-UHFFFAOYSA-N
XLogP1.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-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

Related Compounds

1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
CID 79135402
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
3-(2-hydroxyphenyl)oxan-3-ol
CID 105447976
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
CID 103718556
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroinden-1-ol
CID 79127706
2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
CID 79126623
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 65409445

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol (CID 103715911) is 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol is NCC1(C2(O)CCc3ccccc32)CCCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol?
The InChIKey is JTBZRDMKSDBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-10-14(7-3-9-18-11-14)15(17)8-6-12-4-1-2-5-13(12)15/h1-2,4-5,17H,3,6-11,16H2.
What are the key properties of 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol?
1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 103715911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).