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

C13H19ClN2 — CID 117201111

IUPAC3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1Cc2cc(Cl)ccc2N1C
InChIInChI=1S/C13H19ClN2/c1-15-7-3-4-12-9-10-8-11(14)5-6-13(10)16(12)2/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyUSGKQQZJYTXCFZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.70
Rot. Bonds4

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

3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (PubChem CID 117201111) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
PubChem CID117201111
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1Cc2cc(Cl)ccc2N1C
InChIInChI=1S/C13H19ClN2/c1-15-7-3-4-12-9-10-8-11(14)5-6-13(10)16(12)2/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyUSGKQQZJYTXCFZ-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117201093
N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine
CID 117198098
1-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)-N-methylmethanamine
CID 83860788
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 117201016
3-[1-(2,5-difluorophenyl)-6-fluoro-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
CID 143696270
3-[(3R)-6-fluoro-1-(2-fluoro-4-methylphenyl)-2,2-dihydroxy-3,4-dihydro-2λ4,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 69260798
3-[(3S)-1-(2,5-difluorophenyl)-6-fluoro-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 59761318

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (CID 117201111) is 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is CNCCCC1Cc2cc(Cl)ccc2N1C.
What is the InChIKey of 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The InChIKey is USGKQQZJYTXCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-15-7-3-4-12-9-10-8-11(14)5-6-13(10)16(12)2/h5-6,8,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117201111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).