1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol

C17H25NO2 — CID 79368212

IUPAC1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1(CN)CCC(C)C1)CC2
InChIInChI=1S/C17H25NO2/c1-12-5-7-16(10-12,11-18)17(19)8-6-13-3-4-14(20-2)9-15(13)17/h3-4,9,12,19H,5-8,10-11,18H2,1-2H3
InChIKeyNWDFEPKRTJEPLD-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.59
Rot. Bonds3

About 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol

1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79368212) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79368212
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1(CN)CCC(C)C1)CC2
InChIInChI=1S/C17H25NO2/c1-12-5-7-16(10-12,11-18)17(19)8-6-13-3-4-14(20-2)9-15(13)17/h3-4,9,12,19H,5-8,10-11,18H2,1-2H3
InChIKeyNWDFEPKRTJEPLD-UHFFFAOYSA-N
XLogP2.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol (CID 79368212) is 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(C1(CN)CCC(C)C1)CC2.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is NWDFEPKRTJEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-5-7-16(10-12,11-18)17(19)8-6-13-3-4-14(20-2)9-15(13)17/h3-4,9,12,19H,5-8,10-11,18H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol?
1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79368212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).