1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine

C15H14BrClN2 — CID 107619042

IUPAC1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H14BrClN2/c16-13-5-3-11(8-14(13)17)19-15-6-1-9-7-10(18)2-4-12(9)15/h2-5,7-8,15,19H,1,6,18H2
InChIKeyQPTQQYPVQLSLDO-UHFFFAOYSA-N
MW337.65 g/mol
LogP4.78
Rot. Bonds2

About 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 107619042) has the molecular formula C15H14BrClN2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID107619042
Molecular FormulaC15H14BrClN2
Molecular Weight337.65 g/mol
Exact Mass336.00
IUPAC Name1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H14BrClN2/c16-13-5-3-11(8-14(13)17)19-15-6-1-9-7-10(18)2-4-12(9)15/h2-5,7-8,15,19H,1,6,18H2
InChIKeyQPTQQYPVQLSLDO-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 54.78
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

1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 82865317
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63419334
1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926
1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79840923
1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725770
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103412279
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 107619042) is 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is QPTQQYPVQLSLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2/c16-13-5-3-11(8-14(13)17)19-15-6-1-9-7-10(18)2-4-12(9)15/h2-5,7-8,15,19H,1,6,18H2.
What are the key properties of 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 337.65 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 107619042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).