1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol

C13H19NO2 — CID 83910574

IUPAC1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)CC(C)C2(O)CCN
InChIInChI=1S/C13H19NO2/c1-9-7-10-8-11(16-2)3-4-12(10)13(9,15)5-6-14/h3-4,8-9,15H,5-7,14H2,1-2H3
InChIKeyKLUXGMZTZMWJKA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol

1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol (PubChem CID 83910574) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol
PubChem CID83910574
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)CC(C)C2(O)CCN
InChIInChI=1S/C13H19NO2/c1-9-7-10-8-11(16-2)3-4-12(10)13(9,15)5-6-14/h3-4,8-9,15H,5-7,14H2,1-2H3
InChIKeyKLUXGMZTZMWJKA-UHFFFAOYSA-N
XLogP1.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-5-methyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 112715529
2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 7198410
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
CID 112716679
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
CID 19983228
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
CID 19261422
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol (CID 83910574) is 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol is COc1ccc2c(c1)CC(C)C2(O)CCN.
What is the InChIKey of 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol?
The InChIKey is KLUXGMZTZMWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-10-8-11(16-2)3-4-12(10)13(9,15)5-6-14/h3-4,8-9,15H,5-7,14H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol?
1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83910574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).