(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine

C11H14BrN — CID 84728033

IUPAC(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
SMILESCC1(CN)CCc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN/c1-11(7-13)5-4-8-2-3-9(12)6-10(8)11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyCDTSBXAIEMGPMV-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.61
Rot. Bonds1

About (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine

(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine (PubChem CID 84728033) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
PubChem CID84728033
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
SMILESCC1(CN)CCc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN/c1-11(7-13)5-4-8-2-3-9(12)6-10(8)11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyCDTSBXAIEMGPMV-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84718266
3-(aminomethyl)-3-methyl-1,2-dihydroinden-5-ol
CID 84717952
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728034
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
7-bromo-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010938
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
6-bromo-4-(isocyanomethyl)-4-methyl-1,3-dihydroisochromene
CID 168737762
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
CID 84629055

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
The IUPAC name of (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine (CID 84728033) is (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine.
What is the SMILES notation for (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
The canonical SMILES for (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine is CC1(CN)CCc2ccc(Br)cc21.
What is the InChIKey of (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
The InChIKey is CDTSBXAIEMGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(7-13)5-4-8-2-3-9(12)6-10(8)11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine has a molecular weight of 240.14 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine is sourced from PubChem (CID 84728033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).