(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

C13H19NO2 — CID 129392139

IUPAC(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCOc1cc2c(c(OC)c1)CCC[C@@H](N)C2
InChIInChI=1S/C13H19NO2/c1-15-11-7-9-6-10(14)4-3-5-12(9)13(8-11)16-2/h7-8,10H,3-6,14H2,1-2H3/t10-/m1/s1
InChIKeyGXRADCQPCJTPPF-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.91
Rot. Bonds2

About (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (PubChem CID 129392139) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.

Molecular Properties

Compound Name(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
PubChem CID129392139
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCOc1cc2c(c(OC)c1)CCC[C@@H](N)C2
InChIInChI=1S/C13H19NO2/c1-15-11-7-9-6-10(14)4-3-5-12(9)13(8-11)16-2/h7-8,10H,3-6,14H2,1-2H3/t10-/m1/s1
InChIKeyGXRADCQPCJTPPF-SNVBAGLBSA-N
XLogP1.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 177376067
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 125463800
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanal
CID 166125541
(2R)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130692007
(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20755564
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]butanal;methoxyethane
CID 166125540
[3-methoxy-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl] trifluoromethanesulfonate
CID 142915403
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271

Frequently Asked Questions

What is the IUPAC name of (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The IUPAC name of (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (CID 129392139) is (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.
What is the SMILES notation for (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The canonical SMILES for (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is COc1cc2c(c(OC)c1)CCC[C@@H](N)C2.
What is the InChIKey of (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The InChIKey is GXRADCQPCJTPPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-11-7-9-6-10(14)4-3-5-12(9)13(8-11)16-2/h7-8,10H,3-6,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine has a molecular weight of 221.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is sourced from PubChem (CID 129392139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).