N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine

C17H18BrN — CID 107582406

IUPACN-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(Br)cc(NC2CCc3ccc(C)cc32)c1
InChIInChI=1S/C17H18BrN/c1-11-3-4-13-5-6-17(16(13)9-11)19-15-8-12(2)7-14(18)10-15/h3-4,7-10,17,19H,5-6H2,1-2H3
InChIKeyAULPLHSJFKVIJI-UHFFFAOYSA-N
MW316.24 g/mol
LogP5.17
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine

N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107582406) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107582406
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC NameN-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(Br)cc(NC2CCc3ccc(C)cc32)c1
InChIInChI=1S/C17H18BrN/c1-11-3-4-13-5-6-17(16(13)9-11)19-15-8-12(2)7-14(18)10-15/h3-4,7-10,17,19H,5-6H2,1-2H3
InChIKeyAULPLHSJFKVIJI-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-5-amine
CID 107588055
2-methyl-5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenol
CID 107700377
N-(3-bromo-2-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 107630133
N-cyclopropyl-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 75488646
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265381
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 25096521
5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63419334
1-methyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine
CID 81300616

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 107582406) is N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1cc(Br)cc(NC2CCc3ccc(C)cc32)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AULPLHSJFKVIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN/c1-11-3-4-13-5-6-17(16(13)9-11)19-15-8-12(2)7-14(18)10-15/h3-4,7-10,17,19H,5-6H2,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 316.24 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107582406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).