7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H21NO2 — CID 115417584

IUPAC7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(C)c2c(c1OC)C(N)CCC2C
InChIInChI=1S/C14H21NO2/c1-8-5-6-10(15)13-12(8)9(2)7-11(16-3)14(13)17-4/h7-8,10H,5-6,15H2,1-4H3
InChIKeyXJLRRPVXZWDOOS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds2

About 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417584) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417584
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(C)c2c(c1OC)C(N)CCC2C
InChIInChI=1S/C14H21NO2/c1-8-5-6-10(15)13-12(8)9(2)7-11(16-3)14(13)17-4/h7-8,10H,5-6,15H2,1-4H3
InChIKeyXJLRRPVXZWDOOS-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-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

(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417509
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417703
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
(5S)-1-fluoro-3,4-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014447
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
CID 113305819
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417559
1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
CID 62735651
1-chloro-3,4-dimethoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62942783

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417584) is 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc(C)c2c(c1OC)C(N)CCC2C.
What is the InChIKey of 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XJLRRPVXZWDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8-5-6-10(15)13-12(8)9(2)7-11(16-3)14(13)17-4/h7-8,10H,5-6,15H2,1-4H3.
What are the key properties of 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).