(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine

C10H11Br2NO — CID 130706079

IUPAC(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1c(Br)cc2c(c1Br)CC[C@@H]2N
InChIInChI=1S/C10H11Br2NO/c1-14-10-7(11)4-6-5(9(10)12)2-3-8(6)13/h4,8H,2-3,13H2,1H3/t8-/m0/s1
InChIKeyOYQJZOUALPJFAH-QMMMGPOBSA-N
MW321.01 g/mol
LogP3.17
Rot. Bonds1

About (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine

(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 130706079) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID130706079
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1c(Br)cc2c(c1Br)CC[C@@H]2N
InChIInChI=1S/C10H11Br2NO/c1-14-10-7(11)4-6-5(9(10)12)2-3-8(6)13/h4,8H,2-3,13H2,1H3/t8-/m0/s1
InChIKeyOYQJZOUALPJFAH-QMMMGPOBSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
CID 58962980
(1R)-4-bromo-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 130673475
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
5-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55294576
(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272365
(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
CID 130664492
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105057486
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
4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 167722097
(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
CID 79594927
(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 66799240

Frequently Asked Questions

What is the IUPAC name of (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine (CID 130706079) is (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine is COc1c(Br)cc2c(c1Br)CC[C@@H]2N.
What is the InChIKey of (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OYQJZOUALPJFAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-14-10-7(11)4-6-5(9(10)12)2-3-8(6)13/h4,8H,2-3,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine?
(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 321.01 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130706079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).