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

C17H25NO3 — CID 79372390

IUPAC6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)CC1CCCOC1)C2
InChIInChI=1S/C17H25NO3/c1-18(10-12-4-3-7-21-11-12)16-8-13-5-6-14(20-2)9-15(13)17(16)19/h5-6,9,12,16-17,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyKUXGCIQNQDCDNW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds4

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

6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 79372390) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
PubChem CID79372390
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)CC1CCCOC1)C2
InChIInChI=1S/C17H25NO3/c1-18(10-12-4-3-7-21-11-12)16-8-13-5-6-14(20-2)9-15(13)17(16)19/h5-6,9,12,16-17,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyKUXGCIQNQDCDNW-UHFFFAOYSA-N
XLogP2.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374372
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63713346
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 81296988
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol (CID 79372390) is 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(N(C)CC1CCCOC1)C2.
What is the InChIKey of 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KUXGCIQNQDCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18(10-12-4-3-7-21-11-12)16-8-13-5-6-14(20-2)9-15(13)17(16)19/h5-6,9,12,16-17,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol?
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.01, 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(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79372390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).