1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine

C13H18ClN3 — CID 82499412

IUPAC1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C13H18ClN3/c1-16(2)13(7-15)11-8-17(3)12-5-4-9(14)6-10(11)12/h4-6,8,13H,7,15H2,1-3H3
InChIKeyYVSKRCVYSZTBTI-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.39
Rot. Bonds3

About 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine

1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82499412) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID82499412
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C13H18ClN3/c1-16(2)13(7-15)11-8-17(3)12-5-4-9(14)6-10(11)12/h4-6,8,13H,7,15H2,1-3H3
InChIKeyYVSKRCVYSZTBTI-UHFFFAOYSA-N
XLogP2.39
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine
CID 82500912
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide
CID 167530599
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
3-(5-chloro-1-methylindol-3-yl)-4-methylpentanoic acid
CID 133108300
2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
CID 116908811
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine (CID 82499412) is 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CN)c1cn(C)c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is YVSKRCVYSZTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-16(2)13(7-15)11-8-17(3)12-5-4-9(14)6-10(11)12/h4-6,8,13H,7,15H2,1-3H3.
What are the key properties of 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 251.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82499412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).