1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol

C13H19NO3 — CID 82388999

IUPAC1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
SMILESCOc1cc2c(cc1OC)C(O)(CCN)CC2
InChIInChI=1S/C13H19NO3/c1-16-11-7-9-3-4-13(15,5-6-14)10(9)8-12(11)17-2/h7-8,15H,3-6,14H2,1-2H3
InChIKeyDWNBCSMLQCTHLT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds4

About 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol

1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol (PubChem CID 82388999) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
PubChem CID82388999
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
SMILESCOc1cc2c(cc1OC)C(O)(CCN)CC2
InChIInChI=1S/C13H19NO3/c1-16-11-7-9-3-4-13(15,5-6-14)10(9)8-12(11)17-2/h7-8,15H,3-6,14H2,1-2H3
InChIKeyDWNBCSMLQCTHLT-UHFFFAOYSA-N
XLogP1.19
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294558
3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294598
(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 11081621
4-fluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294564
2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide
CID 110294576
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
CID 110294566
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-2-methylbenzenesulfonamide
CID 110294640
3-amino-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)propan-1-one
CID 135102999
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide
CID 110311245
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
CID 80562940
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol (CID 82388999) is 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol is COc1cc2c(cc1OC)C(O)(CCN)CC2.
What is the InChIKey of 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol?
The InChIKey is DWNBCSMLQCTHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-7-9-3-4-13(15,5-6-14)10(9)8-12(11)17-2/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol?
1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 82388999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).