2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine

C11H13ClN2O — CID 23373069

IUPAC2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]cc(CCN)c2c1Cl
InChIInChI=1S/C11H13ClN2O/c1-15-9-3-2-8-10(11(9)12)7(4-5-13)6-14-8/h2-3,6,14H,4-5,13H2,1H3
InChIKeyBASMNQMNDMEWCS-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine

2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 23373069) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
PubChem CID23373069
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]cc(CCN)c2c1Cl
InChIInChI=1S/C11H13ClN2O/c1-15-9-3-2-8-10(11(9)12)7(4-5-13)6-14-8/h2-3,6,14H,4-5,13H2,1H3
InChIKeyBASMNQMNDMEWCS-UHFFFAOYSA-N
XLogP2.33
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

but-2-enedioic acid;2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 67621135
2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine
CID 23373042
2-(4-fluoro-5-methyl-1H-indol-3-yl)ethanamine
CID 15274380
2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 23373084
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
2-(4,5-dichloro-1H-indol-3-yl)ethylazanium
CID 23271495
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
CID 83968694
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
3-(5-methoxy-4-nitro-1H-indol-3-yl)propanoic acid
CID 126583909
2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 23373096

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine (CID 23373069) is 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine is COc1ccc2[nH]cc(CCN)c2c1Cl.
What is the InChIKey of 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is BASMNQMNDMEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-15-9-3-2-8-10(11(9)12)7(4-5-13)6-14-8/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine?
2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 224.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 23373069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).