2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine

C13H18ClN3 — CID 83948657

IUPAC2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
SMILESCc1c(Cl)ccc2c(CCN)cn(CCN)c12
InChIInChI=1S/C13H18ClN3/c1-9-12(14)3-2-11-10(4-5-15)8-17(7-6-16)13(9)11/h2-3,8H,4-7,15-16H2,1H3
InChIKeyAHPNDZGAJNHKLW-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine

2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine (PubChem CID 83948657) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
PubChem CID83948657
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
SMILESCc1c(Cl)ccc2c(CCN)cn(CCN)c12
InChIInChI=1S/C13H18ClN3/c1-9-12(14)3-2-11-10(4-5-15)8-17(7-6-16)13(9)11/h2-3,8H,4-7,15-16H2,1H3
InChIKeyAHPNDZGAJNHKLW-UHFFFAOYSA-N
XLogP2.06
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
CID 83945161
3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
CID 83945163
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
CID 83948496
2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947656
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
1-(6-chloro-1,7-dimethylindol-3-yl)ethanamine
CID 83868421
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine (CID 83948657) is 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine is Cc1c(Cl)ccc2c(CCN)cn(CCN)c12.
What is the InChIKey of 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine?
The InChIKey is AHPNDZGAJNHKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9-12(14)3-2-11-10(4-5-15)8-17(7-6-16)13(9)11/h2-3,8H,4-7,15-16H2,1H3.
What are the key properties of 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine?
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine has a molecular weight of 251.76 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine is sourced from PubChem (CID 83948657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).