5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H22ClNO2 — CID 62737088

IUPAC5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc(Cl)c2c(c1OCC)C(NC)CCC2
InChIInChI=1S/C15H22ClNO2/c1-4-18-13-9-11(16)10-7-6-8-12(17-3)14(10)15(13)19-5-2/h9,12,17H,4-8H2,1-3H3
InChIKeyNRMNKKUXNHZLNV-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.73
Rot. Bonds5

About 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 62737088) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID62737088
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc(Cl)c2c(c1OCC)C(NC)CCC2
InChIInChI=1S/C15H22ClNO2/c1-4-18-13-9-11(16)10-7-6-8-12(17-3)14(10)15(13)19-5-2/h9,12,17H,4-8H2,1-3H3
InChIKeyNRMNKKUXNHZLNV-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-7,8-diethoxy-N-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 62737088) is 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCOc1cc(Cl)c2c(c1OCC)C(NC)CCC2.
What is the InChIKey of 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NRMNKKUXNHZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-18-13-9-11(16)10-7-6-8-12(17-3)14(10)15(13)19-5-2/h9,12,17H,4-8H2,1-3H3.
What are the key properties of 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62737088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).