(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16BrNO2 — CID 105057486

IUPAC(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(Br)c(OC)c2c1CCC[C@@H]2N
InChIInChI=1S/C12H16BrNO2/c1-15-10-6-8(13)12(16-2)11-7(10)4-3-5-9(11)14/h6,9H,3-5,14H2,1-2H3/t9-/m0/s1
InChIKeyDHEHWFDQTZDKEZ-VIFPVBQESA-N
MW286.17 g/mol
LogP2.80
Rot. Bonds2

About (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 105057486) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID105057486
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(Br)c(OC)c2c1CCC[C@@H]2N
InChIInChI=1S/C12H16BrNO2/c1-15-10-6-8(13)12(16-2)11-7(10)4-3-5-9(11)14/h6,9H,3-5,14H2,1-2H3/t9-/m0/s1
InChIKeyDHEHWFDQTZDKEZ-VIFPVBQESA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 105057504
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014184
(5S)-1-fluoro-3,4-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014447
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
(1R)-6-bromo-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131146254
(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 130706079
6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18976424
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 119053876

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 105057486) is (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc(Br)c(OC)c2c1CCC[C@@H]2N.
What is the InChIKey of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DHEHWFDQTZDKEZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-10-6-8(13)12(16-2)11-7(10)4-3-5-9(11)14/h6,9H,3-5,14H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.17 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 105057486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).