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

C13H19NO — CID 143881666

IUPAC5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCC1CC(C)c2cc(O)ccc2C(N)C1
InChIInChI=1S/C13H19NO/c1-8-5-9(2)12-7-10(15)3-4-11(12)13(14)6-8/h3-4,7-9,13,15H,5-6,14H2,1-2H3
InChIKeyHHOUOLNLPREORH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.93
Rot. Bonds

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

5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (PubChem CID 143881666) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
PubChem CID143881666
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCC1CC(C)c2cc(O)ccc2C(N)C1
InChIInChI=1S/C13H19NO/c1-8-5-9(2)12-7-10(15)3-4-11(12)13(14)6-8/h3-4,7-9,13,15H,5-6,14H2,1-2H3
InChIKeyHHOUOLNLPREORH-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
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(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
(6R,13S,16R,17R)-6-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol;hydrochloride
CID 173458738
8-amino-5-methyl-5,6-dihydronaphthalen-2-ol
CID 163433999
1-[(3-methylcyclobutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682661
(5R,8S)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
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4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155465000
3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 82157980
(6R,8R,9S,13R,14R)-6,13-dimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,14,17-triol
CID 130307460
2-(2-amino-4-hydroxyphenyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The IUPAC name of 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (CID 143881666) is 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.
What is the SMILES notation for 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The canonical SMILES for 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is CC1CC(C)c2cc(O)ccc2C(N)C1.
What is the InChIKey of 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The InChIKey is HHOUOLNLPREORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-5-9(2)12-7-10(15)3-4-11(12)13(14)6-8/h3-4,7-9,13,15H,5-6,14H2,1-2H3.
What are the key properties of 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7,9-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is sourced from PubChem (CID 143881666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).