1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine

C16H16Br2N2O — CID 103412279

IUPAC1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1cc(NC2CCc3cc(N)ccc32)c(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O/c1-21-16-8-15(12(17)7-13(16)18)20-14-5-2-9-6-10(19)3-4-11(9)14/h3-4,6-8,14,20H,2,5,19H2,1H3
InChIKeyBXHSIKXXRLDQDE-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.90
Rot. Bonds3

About 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 103412279) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID103412279
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1cc(NC2CCc3cc(N)ccc32)c(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O/c1-21-16-8-15(12(17)7-13(16)18)20-14-5-2-9-6-10(19)3-4-11(9)14/h3-4,6-8,14,20H,2,5,19H2,1H3
InChIKeyBXHSIKXXRLDQDE-UHFFFAOYSA-N
XLogP4.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 103411527
1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 106660945
1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 102903875
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 107619042
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103411369
1-N-(5-bromo-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79722091
N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
CID 130920984
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028
1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79735267
1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 80752845

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 103412279) is 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine is COc1cc(NC2CCc3cc(N)ccc32)c(Br)cc1Br.
What is the InChIKey of 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is BXHSIKXXRLDQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-21-16-8-15(12(17)7-13(16)18)20-14-5-2-9-6-10(19)3-4-11(9)14/h3-4,6-8,14,20H,2,5,19H2,1H3.
What are the key properties of 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 412.13 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 103412279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).