1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine

C11H15BrN2 — CID 117199958

IUPAC1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
SMILESCNCC1CN(C)c2cccc(Br)c21
InChIInChI=1S/C11H15BrN2/c1-13-6-8-7-14(2)10-5-3-4-9(12)11(8)10/h3-5,8,13H,6-7H2,1-2H3
InChIKeyPZVQFEHWMZBIQX-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine

1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine (PubChem CID 117199958) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
PubChem CID117199958
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
SMILESCNCC1CN(C)c2cccc(Br)c21
InChIInChI=1S/C11H15BrN2/c1-13-6-8-7-14(2)10-5-3-4-9(12)11(8)10/h3-5,8,13H,6-7H2,1-2H3
InChIKeyPZVQFEHWMZBIQX-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117200144
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106432
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
CID 117199339
O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117199932
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115033850
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
7-bromo-N,1-dimethyl-2,3-dihydroindol-3-amine
CID 83758541
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine (CID 117199958) is 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine is CNCC1CN(C)c2cccc(Br)c21.
What is the InChIKey of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
The InChIKey is PZVQFEHWMZBIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-13-6-8-7-14(2)10-5-3-4-9(12)11(8)10/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine?
1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117199958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).