(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H18BrNO — CID 115417759

IUPAC(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc(Br)c2c(c1)[C@H](N)CCC2C
InChIInChI=1S/C13H18BrNO/c1-3-16-9-6-10-12(15)5-4-8(2)13(10)11(14)7-9/h6-8,12H,3-5,15H2,1-2H3/t8?,12-/m1/s1
InChIKeyFMTWNCDLOPJZQG-LESKNEHBSA-N
MW284.20 g/mol
LogP3.74
Rot. Bonds2

About (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417759) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417759
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc(Br)c2c(c1)[C@H](N)CCC2C
InChIInChI=1S/C13H18BrNO/c1-3-16-9-6-10-12(15)5-4-8(2)13(10)11(14)7-9/h6-8,12H,3-5,15H2,1-2H3/t8?,12-/m1/s1
InChIKeyFMTWNCDLOPJZQG-LESKNEHBSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-5-bromo-7-ethoxy-4-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

Related Compounds

(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
CID 131086555
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417559
2,6-dibromo-4-ethoxyaniline
CID 14043930
3-bromo-5-ethoxypyridin-2-amine
CID 146405425
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115483191
6-ethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79728842

Frequently Asked Questions

What is the IUPAC name of (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417759) is (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCOc1cc(Br)c2c(c1)[C@H](N)CCC2C.
What is the InChIKey of (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FMTWNCDLOPJZQG-LESKNEHBSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-16-9-6-10-12(15)5-4-8(2)13(10)11(14)7-9/h6-8,12H,3-5,15H2,1-2H3/t8?,12-/m1/s1.
What are the key properties of (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).