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

C18H27NO2 — CID 79372170

IUPAC2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)C1CCCCCC1)C2
InChIInChI=1S/C18H27NO2/c1-19(14-7-5-3-4-6-8-14)17-11-13-9-10-15(21-2)12-16(13)18(17)20/h9-10,12,14,17-18,20H,3-8,11H2,1-2H3
InChIKeyLBMYJJFGOGSPHT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.31
Rot. Bonds3

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

2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 79372170) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID79372170
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N(C)C1CCCCCC1)C2
InChIInChI=1S/C18H27NO2/c1-19(14-7-5-3-4-6-8-14)17-11-13-9-10-15(21-2)12-16(13)18(17)20/h9-10,12,14,17-18,20H,3-8,11H2,1-2H3
InChIKeyLBMYJJFGOGSPHT-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclohexyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374538
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
2-N-cyclopentyl-1-N-ethyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370507
2-N-cyclopentyl-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79232382
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
6-methoxy-2-[methyl(oxolan-2-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374372
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79370662
6-methoxy-1-N,2-N-dimethyl-2-N-(oxan-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79370094
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79375006

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 79372170) is 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(N(C)C1CCCCCC1)C2.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LBMYJJFGOGSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-19(14-7-5-3-4-6-8-14)17-11-13-9-10-15(21-2)12-16(13)18(17)20/h9-10,12,14,17-18,20H,3-8,11H2,1-2H3.
What are the key properties of 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol?
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79372170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).