1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine

C11H14BrN — CID 116961881

IUPAC1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
SMILESCNC(Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H14BrN/c1-13-11(12)10-6-5-8-3-2-4-9(8)7-10/h5-7,11,13H,2-4H2,1H3
InChIKeyWYKBDZJVRHOURN-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.79
Rot. Bonds2

About 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine

1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine (PubChem CID 116961881) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
PubChem CID116961881
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
SMILESCNC(Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H14BrN/c1-13-11(12)10-6-5-8-3-2-4-9(8)7-10/h5-7,11,13H,2-4H2,1H3
InChIKeyWYKBDZJVRHOURN-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
1-(azetidin-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116950726
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79659812
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The IUPAC name of 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine (CID 116961881) is 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine is CNC(Br)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
The InChIKey is WYKBDZJVRHOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13-11(12)10-6-5-8-3-2-4-9(8)7-10/h5-7,11,13H,2-4H2,1H3.
What are the key properties of 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine?
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine has a molecular weight of 240.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine is sourced from PubChem (CID 116961881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).