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

C12H18N2 — CID 117202905

IUPAC1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1CC(C)N2C
InChIInChI=1S/C12H18N2/c1-9-7-11-10(8-13-2)5-4-6-12(11)14(9)3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyBHHONBATOYJRIT-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.79
Rot. Bonds2

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

1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine (PubChem CID 117202905) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine
PubChem CID117202905
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1CC(C)N2C
InChIInChI=1S/C12H18N2/c1-9-7-11-10(8-13-2)5-4-6-12(11)14(9)3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyBHHONBATOYJRIT-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine
CID 175530857
1-(1,2-dimethyl-2,3-dihydroindol-4-yl)ethanol
CID 117202869
4-ethyl-1-methyl-2,3-dihydroindol-2-ol
CID 145223584
N-methyl-1-[4-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanamine
CID 81248470
2-(1,2-dimethyl-2,3-dihydroindol-4-yl)propanoic acid
CID 117202967
2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
CID 117202969
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine
CID 117204112
2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
CID 117202895
2-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)ethanol
CID 117202836
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
1,2,5-trimethyl-3,4-dihydro-2H-quinoline
CID 174213481
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine (CID 117202905) is 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine is CNCc1cccc2c1CC(C)N2C.
What is the InChIKey of 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine?
The InChIKey is BHHONBATOYJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-7-11-10(8-13-2)5-4-6-12(11)14(9)3/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine?
1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 117202905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).