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

C12H17NO2 — CID 125495690

IUPAC(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCOc1ccc2c(c1)CC[C@H](N)C[C@H]2O
InChIInChI=1S/C12H17NO2/c1-15-10-4-5-11-8(6-10)2-3-9(13)7-12(11)14/h4-6,9,12,14H,2-3,7,13H2,1H3/t9-,12+/m0/s1
InChIKeyKOWXACQIVDGRDV-JOYOIKCWSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds1

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

(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 125495690) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID125495690
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCOc1ccc2c(c1)CC[C@H](N)C[C@H]2O
InChIInChI=1S/C12H17NO2/c1-15-10-4-5-11-8(6-10)2-3-9(13)7-12(11)14/h4-6,9,12,14H,2-3,7,13H2,1H3/t9-,12+/m0/s1
InChIKeyKOWXACQIVDGRDV-JOYOIKCWSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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CID 13275748
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CID 91023186
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
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2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
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CID 86319053
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
3-methoxy-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 125495690) is (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is COc1ccc2c(c1)CC[C@H](N)C[C@H]2O.
What is the InChIKey of (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is KOWXACQIVDGRDV-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-10-4-5-11-8(6-10)2-3-9(13)7-12(11)14/h4-6,9,12,14H,2-3,7,13H2,1H3/t9-,12+/m0/s1.
What are the key properties of (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 207.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 125495690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).