(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H21NO2 — CID 125486481

IUPAC(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cc2c(c(OC)c1)CC[C@H](N(C)C)C2
InChIInChI=1S/C14H21NO2/c1-15(2)11-5-6-13-10(7-11)8-12(16-3)9-14(13)17-4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyPOIIPNQJZMDWSB-NSHDSACASA-N
MW235.33 g/mol
LogP2.12
Rot. Bonds3

About (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 125486481) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID125486481
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cc2c(c(OC)c1)CC[C@H](N(C)C)C2
InChIInChI=1S/C14H21NO2/c1-15(2)11-5-6-13-10(7-11)8-12(16-3)9-14(13)17-4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyPOIIPNQJZMDWSB-NSHDSACASA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 125463800
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 177376067
8-methoxy-N,N-dimethyl-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924807
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
CID 61384882
(6R)-6-(dimethylamino)-4-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 11999840
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 68955632
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-4-methoxybenzenesulfonamide
CID 68956567
6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 10014349
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
CID 13045742

Frequently Asked Questions

What is the IUPAC name of (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 125486481) is (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cc2c(c(OC)c1)CC[C@H](N(C)C)C2.
What is the InChIKey of (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is POIIPNQJZMDWSB-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)11-5-6-13-10(7-11)8-12(16-3)9-14(13)17-4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 125486481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).