(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C14H20BrNO2 — CID 79014184

IUPAC(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc(Br)c2c(c1OCC)[C@H](N)CCC2
InChIInChI=1S/C14H20BrNO2/c1-3-17-12-8-10(15)9-6-5-7-11(16)13(9)14(12)18-4-2/h8,11H,3-7,16H2,1-2H3/t11-/m1/s1
InChIKeyYMFGFCRJAQAMAK-LLVKDONJSA-N
MW314.22 g/mol
LogP3.58
Rot. Bonds4

About (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79014184) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79014184
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCOc1cc(Br)c2c(c1OCC)[C@H](N)CCC2
InChIInChI=1S/C14H20BrNO2/c1-3-17-12-8-10(15)9-6-5-7-11(16)13(9)14(12)18-4-2/h8,11H,3-7,16H2,1-2H3/t11-/m1/s1
InChIKeyYMFGFCRJAQAMAK-LLVKDONJSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
(5S)-1-ethoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014230
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130985321
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
5-chloro-7,8-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737088
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
4-ethoxy-5,6,7,8-tetrahydroquinolin-8-amine
CID 71758454
5-bromo-7,8-diethoxy-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417490
(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
CID 131086555
(1S)-4-bromo-6,7-diethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837856
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418
1,4-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736180

Frequently Asked Questions

What is the IUPAC name of (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79014184) is (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCOc1cc(Br)c2c(c1OCC)[C@H](N)CCC2.
What is the InChIKey of (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YMFGFCRJAQAMAK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-17-12-8-10(15)9-6-5-7-11(16)13(9)14(12)18-4-2/h8,11H,3-7,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79014184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).