5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine

C16H15Br2N — CID 63419334

IUPAC5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(NC2CCc3cc(Br)ccc32)ccc1Br
InChIInChI=1S/C16H15Br2N/c1-10-8-13(4-6-15(10)18)19-16-7-2-11-9-12(17)3-5-14(11)16/h3-6,8-9,16,19H,2,7H2,1H3
InChIKeyYFZNDDABHKOTOC-UHFFFAOYSA-N
MW381.11 g/mol
LogP5.62
Rot. Bonds2

About 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63419334) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63419334
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(NC2CCc3cc(Br)ccc32)ccc1Br
InChIInChI=1S/C16H15Br2N/c1-10-8-13(4-6-15(10)18)19-16-7-2-11-9-12(17)3-5-14(11)16/h3-6,8-9,16,19H,2,7H2,1H3
InChIKeyYFZNDDABHKOTOC-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.11
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63423019
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107787981
2-[4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]phenyl]acetonitrile
CID 61070621
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine
CID 62636485
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 107619042
2-bromo-N-(4-bromo-3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687344
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 63419334) is 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine is Cc1cc(NC2CCc3cc(Br)ccc32)ccc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YFZNDDABHKOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c1-10-8-13(4-6-15(10)18)19-16-7-2-11-9-12(17)3-5-14(11)16/h3-6,8-9,16,19H,2,7H2,1H3.
What are the key properties of 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 381.11 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63419334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).