(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C13H19NO — CID 124654482

IUPAC(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCc1cc2c(cc1C)[C@@H](O)[C@H](N)CCC2
InChIInChI=1S/C13H19NO/c1-8-6-10-4-3-5-12(14)13(15)11(10)7-9(8)2/h6-7,12-13,15H,3-5,14H2,1-2H3/t12-,13-/m1/s1
InChIKeyQLHHOCMFSKRSHT-CHWSQXEVSA-N
MW205.30 g/mol
LogP2.00
Rot. Bonds

About (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 124654482) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID124654482
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCc1cc2c(cc1C)[C@@H](O)[C@H](N)CCC2
InChIInChI=1S/C13H19NO/c1-8-6-10-4-3-5-12(14)13(15)11(10)7-9(8)2/h6-7,12-13,15H,3-5,14H2,1-2H3/t12-,13-/m1/s1
InChIKeyQLHHOCMFSKRSHT-CHWSQXEVSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol with MolForge

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Related Compounds

(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 162344374
(5S,6R)-6-amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51601053
(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 55273686
2-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 22104546
(5R,6R)-6-amino-2,4-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600981
(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 97304138
(1R,2R)-2-amino-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600882
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600890
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
(5R,6R)-6-amino-4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600925
(5S,6R)-6-amino-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600913

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 124654482) is (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is Cc1cc2c(cc1C)[C@@H](O)[C@H](N)CCC2.
What is the InChIKey of (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is QLHHOCMFSKRSHT-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-6-10-4-3-5-12(14)13(15)11(10)7-9(8)2/h6-7,12-13,15H,3-5,14H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 205.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 124654482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).