1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine

C12H17ClN2 — CID 117198682

IUPAC1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2c(Cl)cccc2N1
InChIInChI=1S/C12H17ClN2/c1-8(14-2)6-9-7-10-11(13)4-3-5-12(10)15-9/h3-5,8-9,14-15H,6-7H2,1-2H3
InChIKeyOJZWILSTMIXOHB-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine

1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine (PubChem CID 117198682) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
PubChem CID117198682
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1Cc2c(Cl)cccc2N1
InChIInChI=1S/C12H17ClN2/c1-8(14-2)6-9-7-10-11(13)4-3-5-12(10)15-9/h3-5,8-9,14-15H,6-7H2,1-2H3
InChIKeyOJZWILSTMIXOHB-UHFFFAOYSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
CID 117201101
2-(4-chloro-2,3-dihydro-1H-indol-2-yl)ethanol
CID 117198606
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705
3-(4-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 117198716
N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
CID 117198308
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine
CID 117198427
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine (CID 117198682) is 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine is CNC(C)CC1Cc2c(Cl)cccc2N1.
What is the InChIKey of 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
The InChIKey is OJZWILSTMIXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(14-2)6-9-7-10-11(13)4-3-5-12(10)15-9/h3-5,8-9,14-15H,6-7H2,1-2H3.
What are the key properties of 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine?
1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine has a molecular weight of 224.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117198682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).