(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C12H17NO — CID 130898771

IUPAC(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1C[C@H](C)[C@H](N)C2
InChIInChI=1S/C12H17NO/c1-8-6-10-9(7-11(8)13)4-3-5-12(10)14-2/h3-5,8,11H,6-7,13H2,1-2H3/t8-,11+/m0/s1
InChIKeyUHTIBQLIVDYEJV-GZMMTYOYSA-N
MW191.27 g/mol
LogP1.76
Rot. Bonds1

About (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 130898771) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID130898771
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1C[C@H](C)[C@H](N)C2
InChIInChI=1S/C12H17NO/c1-8-6-10-9(7-11(8)13)4-3-5-12(10)14-2/h3-5,8,11H,6-7,13H2,1-2H3/t8-,11+/m0/s1
InChIKeyUHTIBQLIVDYEJV-GZMMTYOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine 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-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
1-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105445390
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
(3aS,9aR)-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 54561720
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 130898771) is (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc2c1C[C@H](C)[C@H](N)C2.
What is the InChIKey of (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UHTIBQLIVDYEJV-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-10-9(7-11(8)13)4-3-5-12(10)14-2/h3-5,8,11H,6-7,13H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 130898771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).