1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine

C12H17ClN2 — CID 117199954

IUPAC1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCNC(C)C1CN(C)c2cccc(Cl)c21
InChIInChI=1S/C12H17ClN2/c1-8(14-2)9-7-15(3)11-6-4-5-10(13)12(9)11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyUAPDIZZJGZZQIV-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine

1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine (PubChem CID 117199954) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
PubChem CID117199954
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCNC(C)C1CN(C)c2cccc(Cl)c21
InChIInChI=1S/C12H17ClN2/c1-8(14-2)9-7-15(3)11-6-4-5-10(13)12(9)11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyUAPDIZZJGZZQIV-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117200088
1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117200061
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199940
2-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200003
1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
CID 117200379
N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
CID 117199339
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one
CID 82234661

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine (CID 117199954) is 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine is CNC(C)C1CN(C)c2cccc(Cl)c21.
What is the InChIKey of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The InChIKey is UAPDIZZJGZZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(14-2)9-7-15(3)11-6-4-5-10(13)12(9)11/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117199954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).