8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C10H13BrN2 — CID 130044107

IUPAC8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESNc1cc(Br)c2c(c1)CCCC2N
InChIInChI=1S/C10H13BrN2/c11-8-5-7(12)4-6-2-1-3-9(13)10(6)8/h4-5,9H,1-3,12-13H2
InChIKeyIEGFYMMMGMYTHZ-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.37
Rot. Bonds

About 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine

8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 130044107) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID130044107
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESNc1cc(Br)c2c(c1)CCCC2N
InChIInChI=1S/C10H13BrN2/c11-8-5-7(12)4-6-2-1-3-9(13)10(6)8/h4-5,9H,1-3,12-13H2
InChIKeyIEGFYMMMGMYTHZ-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574
4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 130067141
(1R)-6-bromo-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131146254
6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55253125
(1R)-6-chloro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130624873
(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131151177
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
CID 131086555
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 55273686
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 130044107) is 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine is Nc1cc(Br)c2c(c1)CCCC2N.
What is the InChIKey of 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is IEGFYMMMGMYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-5-7(12)4-6-2-1-3-9(13)10(6)8/h4-5,9H,1-3,12-13H2.
What are the key properties of 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 241.13 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 130044107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).