(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine

C11H15NO — CID 130682288

IUPAC(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc(C)c2c(c1)CC[C@H]2N
InChIInChI=1S/C11H15NO/c1-7-5-9(13-2)6-8-3-4-10(12)11(7)8/h5-6,10H,3-4,12H2,1-2H3/t10-/m1/s1
InChIKeyCDRQNTXWBWLZNM-SNVBAGLBSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds1

About (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine

(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 130682288) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID130682288
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc(C)c2c(c1)CC[C@H]2N
InChIInChI=1S/C11H15NO/c1-7-5-9(13-2)6-8-3-4-10(12)11(7)8/h5-6,10H,3-4,12H2,1-2H3/t10-/m1/s1
InChIKeyCDRQNTXWBWLZNM-SNVBAGLBSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 91618885
(1S)-5-fluoro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130739092
7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 68632948
(1R)-7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 130713773
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271
(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
CID 131086555
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R)-6-chloro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130624873
3-methoxy-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 626871
(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
CID 130664492
(8S,9R,13S,14S,17R)-3-methoxy-1,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 99934954
(8S,9S,13S,14S,17S)-3-methoxy-1,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 70511326

Frequently Asked Questions

What is the IUPAC name of (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine (CID 130682288) is (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine is COc1cc(C)c2c(c1)CC[C@H]2N.
What is the InChIKey of (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CDRQNTXWBWLZNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-5-9(13-2)6-8-3-4-10(12)11(7)8/h5-6,10H,3-4,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine?
(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130682288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).