(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

C12H17NO — CID 142640343

IUPAC(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCOc1cccc2c1CCC[C@H](N)C2
InChIInChI=1S/C12H17NO/c1-14-12-7-2-4-9-8-10(13)5-3-6-11(9)12/h2,4,7,10H,3,5-6,8,13H2,1H3/t10-/m0/s1
InChIKeyUZNFOJXEZUUEGH-JTQLQIEISA-N
MW191.27 g/mol
LogP1.90
Rot. Bonds1

About (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (PubChem CID 142640343) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.

Molecular Properties

Compound Name(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
PubChem CID142640343
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCOc1cccc2c1CCC[C@H](N)C2
InChIInChI=1S/C12H17NO/c1-14-12-7-2-4-9-8-10(13)5-3-6-11(9)12/h2,4,7,10H,3,5-6,8,13H2,1H3/t10-/m0/s1
InChIKeyUZNFOJXEZUUEGH-JTQLQIEISA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
CID 57021351
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
3-[(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]cyclobutane-1-carboxylic acid
CID 166267662
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The IUPAC name of (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (CID 142640343) is (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.
What is the SMILES notation for (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The canonical SMILES for (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is COc1cccc2c1CCC[C@H](N)C2.
What is the InChIKey of (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The InChIKey is UZNFOJXEZUUEGH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-14-12-7-2-4-9-8-10(13)5-3-6-11(9)12/h2,4,7,10H,3,5-6,8,13H2,1H3/t10-/m0/s1.
What are the key properties of (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine has a molecular weight of 191.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is sourced from PubChem (CID 142640343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).