[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol

C12H17NO2 — CID 79375001

IUPAC[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
SMILESCNC1(CO)CCc2ccc(OC)cc21
InChIInChI=1S/C12H17NO2/c1-13-12(8-14)6-5-9-3-4-10(15-2)7-11(9)12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyPYRWBKCDBCMYKP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.05
Rot. Bonds3

About [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol

[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol (PubChem CID 79375001) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
PubChem CID79375001
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
SMILESCNC1(CO)CCc2ccc(OC)cc21
InChIInChI=1S/C12H17NO2/c1-13-12(8-14)6-5-9-3-4-10(15-2)7-11(9)12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyPYRWBKCDBCMYKP-UHFFFAOYSA-N
XLogP1.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79374790
[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372158
[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372156
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
(5-methoxy-2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-yl)methanol
CID 114229925
(2,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105479196
6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide
CID 167918130
methyl 7-methoxy-1-[2-(methylamino)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 70953559
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol (CID 79375001) is [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol is CNC1(CO)CCc2ccc(OC)cc21.
What is the InChIKey of [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol?
The InChIKey is PYRWBKCDBCMYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-12(8-14)6-5-9-3-4-10(15-2)7-11(9)12/h3-4,7,13-14H,5-6,8H2,1-2H3.
What are the key properties of [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol?
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 79375001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).