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

C17H26BrNO2 — CID 115417490

IUPAC5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCC(C)c2c(Br)cc(OCC)c(OCC)c21
InChIInChI=1S/C17H26BrNO2/c1-5-19-13-9-8-11(4)15-12(18)10-14(20-6-2)17(16(13)15)21-7-3/h10-11,13,19H,5-9H2,1-4H3
InChIKeyYEIBCDBNTUDDPE-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.79
Rot. Bonds6

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

5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417490) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417490
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCC(C)c2c(Br)cc(OCC)c(OCC)c21
InChIInChI=1S/C17H26BrNO2/c1-5-19-13-9-8-11(4)15-12(18)10-14(20-6-2)17(16(13)15)21-7-3/h10-11,13,19H,5-9H2,1-4H3
InChIKeyYEIBCDBNTUDDPE-UHFFFAOYSA-N
XLogP4.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
7-bromo-N-ethyl-8-methyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417486
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014184
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
(1S)-4-bromo-6,7-diethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837856
6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417576
(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417759
7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305812
N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
CID 43492609
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417490) is 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1CCC(C)c2c(Br)cc(OCC)c(OCC)c21.
What is the InChIKey of 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YEIBCDBNTUDDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-5-19-13-9-8-11(4)15-12(18)10-14(20-6-2)17(16(13)15)21-7-3/h10-11,13,19H,5-9H2,1-4H3.
What are the key properties of 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 356.30 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).