6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol

C14H21NO2 — CID 79368955

IUPAC6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(CNC(C)C)CC2
InChIInChI=1S/C14H21NO2/c1-10(2)15-9-14(16)7-6-11-4-5-12(17-3)8-13(11)14/h4-5,8,10,15-16H,6-7,9H2,1-3H3
InChIKeyXEPNUQSHBPZEQN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds4

About 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol

6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol (PubChem CID 79368955) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
PubChem CID79368955
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(CNC(C)C)CC2
InChIInChI=1S/C14H21NO2/c1-10(2)15-9-14(16)7-6-11-4-5-12(17-3)8-13(11)14/h4-5,8,10,15-16H,6-7,9H2,1-3H3
InChIKeyXEPNUQSHBPZEQN-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
(1S)-1-[[[(2S,6S)-2,6-dimethyloxan-4-yl]amino]methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 97336688
(1S)-1-[[[(2S,6R)-2,6-dimethyloxan-4-yl]amino]methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 97336687
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374993

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol (CID 79368955) is 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(CNC(C)C)CC2.
What is the InChIKey of 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is XEPNUQSHBPZEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)15-9-14(16)7-6-11-4-5-12(17-3)8-13(11)14/h4-5,8,10,15-16H,6-7,9H2,1-3H3.
What are the key properties of 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol?
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79368955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).