6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine

C14H19NO2 — CID 82277958

IUPAC6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
SMILESCOc1cc2c(cc1OC)C(N)C1(CC2)CC1
InChIInChI=1S/C14H19NO2/c1-16-11-7-9-3-4-14(5-6-14)13(15)10(9)8-12(11)17-2/h7-8,13H,3-6,15H2,1-2H3
InChIKeyDKMNHFRMHALSKY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds2

About 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine

6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine (PubChem CID 82277958) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine.

Molecular Properties

Compound Name6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
PubChem CID82277958
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
SMILESCOc1cc2c(cc1OC)C(N)C1(CC2)CC1
InChIInChI=1S/C14H19NO2/c1-16-11-7-9-3-4-14(5-6-14)13(15)10(9)8-12(11)17-2/h7-8,13H,3-6,15H2,1-2H3
InChIKeyDKMNHFRMHALSKY-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
5-bromo-2,3-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 63515124
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
CID 116995519
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
(3R,14R)-6,7,17,18-tetramethoxy-1,12-diazoniapentacyclo[12.8.0.03,12.04,9.015,20]docosa-4,6,8,15,17,19-hexaene
CID 6974268
(1S,2R)-6,7-dimethoxy-1,2-dimethyl-2-sulfanylidene-3,4-dihydro-1H-isophosphinoline
CID 13356978
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride
CID 19028876
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;dihydrochloride
CID 53464027
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine?
The IUPAC name of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine (CID 82277958) is 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine.
What is the SMILES notation for 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine?
The canonical SMILES for 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine is COc1cc2c(cc1OC)C(N)C1(CC2)CC1.
What is the InChIKey of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine?
The InChIKey is DKMNHFRMHALSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-11-7-9-3-4-14(5-6-14)13(15)10(9)8-12(11)17-2/h7-8,13H,3-6,15H2,1-2H3.
What are the key properties of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine?
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine is sourced from PubChem (CID 82277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).