2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine

C12H17ClN2 — CID 117202142

IUPAC2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCNCCC1CN(C)c2ccc(Cl)cc21
InChIInChI=1S/C12H17ClN2/c1-14-6-5-9-8-15(2)12-4-3-10(13)7-11(9)12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyHUGFAZZISKYEFH-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.48
Rot. Bonds3

About 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine

2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine (PubChem CID 117202142) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
PubChem CID117202142
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCNCCC1CN(C)c2ccc(Cl)cc21
InChIInChI=1S/C12H17ClN2/c1-14-6-5-9-8-15(2)12-4-3-10(13)7-11(9)12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyHUGFAZZISKYEFH-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106432
2-(1,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84623134
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 84634754
2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84643191
2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202262
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201111
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
2-(1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 115106407

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine (CID 117202142) is 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine is CNCCC1CN(C)c2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The InChIKey is HUGFAZZISKYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-14-6-5-9-8-15(2)12-4-3-10(13)7-11(9)12/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117202142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).