(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C12H17NO3 — CID 13162191

IUPAC(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1OC)C[C@H](N)[C@H](O)C2
InChIInChI=1S/C12H17NO3/c1-15-11-5-7-3-9(13)10(14)4-8(7)6-12(11)16-2/h5-6,9-10,14H,3-4,13H2,1-2H3/t9-,10+/m0/s1
InChIKeyRPGMCPBQSJAURR-VHSXEESVSA-N
MW223.27 g/mol
LogP0.49
Rot. Bonds2

About (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 13162191) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID13162191
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1OC)C[C@H](N)[C@H](O)C2
InChIInChI=1S/C12H17NO3/c1-15-11-5-7-3-9(13)10(14)4-8(7)6-12(11)16-2/h5-6,9-10,14H,3-4,13H2,1-2H3/t9-,10+/m0/s1
InChIKeyRPGMCPBQSJAURR-VHSXEESVSA-N
XLogP0.49
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-amine
CID 116995519
(2R)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130692007
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 628542
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159343
(5R)-7,8-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885586

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 13162191) is (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is COc1cc2c(cc1OC)C[C@H](N)[C@H](O)C2.
What is the InChIKey of (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is RPGMCPBQSJAURR-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-11-5-7-3-9(13)10(14)4-8(7)6-12(11)16-2/h5-6,9-10,14H,3-4,13H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 223.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 13162191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).