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

C12H15ClN2O — CID 84629253

IUPAC2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine
SMILESCNCCc1cc2c(Cl)ccc(OC)c2[nH]1
InChIInChI=1S/C12H15ClN2O/c1-14-6-5-8-7-9-10(13)3-4-11(16-2)12(9)15-8/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyLIPXFRCOWDQONC-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.59
Rot. Bonds4

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

2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine (PubChem CID 84629253) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine
PubChem CID84629253
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine
SMILESCNCCc1cc2c(Cl)ccc(OC)c2[nH]1
InChIInChI=1S/C12H15ClN2O/c1-14-6-5-8-7-9-10(13)3-4-11(16-2)12(9)15-8/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyLIPXFRCOWDQONC-UHFFFAOYSA-N
XLogP2.59
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634780
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2-(5,8-dimethoxy-3-methylquinolin-2-yl)-N-methylethanamine
CID 82245936
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-N-methylethanamine
CID 117456580
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 39234890
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
N-[2-(7-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10704742
2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
CID 82244742
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine (CID 84629253) is 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine is CNCCc1cc2c(Cl)ccc(OC)c2[nH]1.
What is the InChIKey of 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine?
The InChIKey is LIPXFRCOWDQONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-14-6-5-8-7-9-10(13)3-4-11(16-2)12(9)15-8/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine?
2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine has a molecular weight of 238.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-1H-indol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84629253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).