2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine

C13H17ClN2 — CID 84628690

IUPAC2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-13(2,15-3)11-8-16(4)12-6-5-9(14)7-10(11)12/h5-8,15H,1-4H3
InChIKeyPSGTVHONAAOQFP-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.29
Rot. Bonds2

About 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine

2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine (PubChem CID 84628690) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine
PubChem CID84628690
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-13(2,15-3)11-8-16(4)12-6-5-9(14)7-10(11)12/h5-8,15H,1-4H3
InChIKeyPSGTVHONAAOQFP-UHFFFAOYSA-N
XLogP3.29
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine
CID 84642809
5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde
CID 160716465
5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 102127981
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412
5-chloro-3-cyclohexyl-1-methylindole
CID 135084055
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82501552
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine (CID 84628690) is 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine is CNC(C)(C)c1cn(C)c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is PSGTVHONAAOQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-13(2,15-3)11-8-16(4)12-6-5-9(14)7-10(11)12/h5-8,15H,1-4H3.
What are the key properties of 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine?
2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 236.75 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 84628690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).