6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol

C16H23NO3 — CID 79374372

IUPAC6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)CC1CCCO1)C2
InChIInChI=1S/C16H23NO3/c1-17(10-13-4-3-7-20-13)15-8-11-5-6-12(19-2)9-14(11)16(15)18/h5-6,9,13,15-16,18H,3-4,7-8,10H2,1-2H3
InChIKeyKOYMYHKFTNIVFW-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.76
Rot. Bonds4

About 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol

6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 79374372) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
PubChem CID79374372
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)CC1CCCO1)C2
InChIInChI=1S/C16H23NO3/c1-17(10-13-4-3-7-20-13)15-8-11-5-6-12(19-2)9-14(11)16(15)18/h5-6,9,13,15-16,18H,3-4,7-8,10H2,1-2H3
InChIKeyKOYMYHKFTNIVFW-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79375006
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372381

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol (CID 79374372) is 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(N(C)CC1CCCO1)C2.
What is the InChIKey of 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KOYMYHKFTNIVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(10-13-4-3-7-20-13)15-8-11-5-6-12(19-2)9-14(11)16(15)18/h5-6,9,13,15-16,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 277.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79374372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).