N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H18BrN — CID 82821533

IUPACN-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1Nc1ccccc1Br
InChIInChI=1S/C17H18BrN/c1-17(2)11-12-7-3-4-8-13(12)16(17)19-15-10-6-5-9-14(15)18/h3-10,16,19H,11H2,1-2H3
InChIKeyQPTILEBAEDEOKS-UHFFFAOYSA-N
MW316.24 g/mol
LogP5.18
Rot. Bonds2

About N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82821533) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82821533
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC NameN-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1Nc1ccccc1Br
InChIInChI=1S/C17H18BrN/c1-17(2)11-12-7-3-4-8-13(12)16(17)19-15-10-6-5-9-14(15)18/h3-10,16,19H,11H2,1-2H3
InChIKeyQPTILEBAEDEOKS-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
CID 82821252
2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine
CID 82820871
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821346
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815052
2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine
CID 82796504
2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine
CID 82820959
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine
CID 107584918
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
CID 82815198
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814561
2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine
CID 82814911
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82821533) is N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccccc2C1Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is QPTILEBAEDEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN/c1-17(2)11-12-7-3-4-8-13(12)16(17)19-15-10-6-5-9-14(15)18/h3-10,16,19H,11H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 316.24 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).