2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine

C13H17ClN2O — CID 84634780

IUPAC2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
SMILESCNCCc1cc2c(Cl)ccc(OC)c2n1C
InChIInChI=1S/C13H17ClN2O/c1-15-7-6-9-8-10-11(14)4-5-12(17-3)13(10)16(9)2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCORRUBPGOSUMOB-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine

2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine (PubChem CID 84634780) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
PubChem CID84634780
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
SMILESCNCCc1cc2c(Cl)ccc(OC)c2n1C
InChIInChI=1S/C13H17ClN2O/c1-15-7-6-9-8-10-11(14)4-5-12(17-3)13(10)16(9)2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCORRUBPGOSUMOB-UHFFFAOYSA-N
XLogP2.60
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84627085
2-(6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634763
2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine
CID 84629253
2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine
CID 84634779
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
(4,7-dichloro-1-methylindol-2-yl)methanamine
CID 83868356
2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84646347
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
1-(4-chloro-7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 83868411
N-methyl-2-(1,6,7-trimethylindol-2-yl)ethanamine
CID 84622439

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine (CID 84634780) is 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine is CNCCc1cc2c(Cl)ccc(OC)c2n1C.
What is the InChIKey of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine?
The InChIKey is CORRUBPGOSUMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-7-6-9-8-10-11(14)4-5-12(17-3)13(10)16(9)2/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine?
2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine has a molecular weight of 252.74 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84634780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).