8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H18BrNO — CID 115417517

IUPAC8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1ccc(Br)c2c1C(C)CCC2N
InChIInChI=1S/C13H18BrNO/c1-3-16-11-7-5-9(14)13-10(15)6-4-8(2)12(11)13/h5,7-8,10H,3-4,6,15H2,1-2H3
InChIKeyHQJYSVDTTYHLSR-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.74
Rot. Bonds2

About 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417517) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417517
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1ccc(Br)c2c1C(C)CCC2N
InChIInChI=1S/C13H18BrNO/c1-3-16-11-7-5-9(14)13-10(15)6-4-8(2)12(11)13/h5,7-8,10H,3-4,6,15H2,1-2H3
InChIKeyHQJYSVDTTYHLSR-UHFFFAOYSA-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

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Related Compounds

(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417759
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014184
(5S)-1-ethoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014230
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417474
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79838057
5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417490
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417517) is 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCOc1ccc(Br)c2c1C(C)CCC2N.
What is the InChIKey of 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HQJYSVDTTYHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-16-11-7-5-9(14)13-10(15)6-4-8(2)12(11)13/h5,7-8,10H,3-4,6,15H2,1-2H3.
What are the key properties of 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
8-bromo-5-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 8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).