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

C13H18N2O — CID 82393219

IUPAC2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]c(C)c(CCN)c2c1C
InChIInChI=1S/C13H18N2O/c1-8-12(16-3)5-4-11-13(8)10(6-7-14)9(2)15-11/h4-5,15H,6-7,14H2,1-3H3
InChIKeyLYPHRCJWPFMZHR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds3

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

2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine (PubChem CID 82393219) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
PubChem CID82393219
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]c(C)c(CCN)c2c1C
InChIInChI=1S/C13H18N2O/c1-8-12(16-3)5-4-11-13(8)10(6-7-14)9(2)15-11/h4-5,15H,6-7,14H2,1-3H3
InChIKeyLYPHRCJWPFMZHR-UHFFFAOYSA-N
XLogP2.29
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
5-methoxy-2,3-dimethyl-1H-indol-4-amine
CID 84771527
2-(6-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 105472777
4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole
CID 57111657
1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine
CID 84793739
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
2-[5-(3-methoxyphenyl)sulfanyl-2-methyl-1H-indol-3-yl]ethanamine
CID 142211142
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
CID 46216285

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine (CID 82393219) is 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine is COc1ccc2[nH]c(C)c(CCN)c2c1C.
What is the InChIKey of 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine?
The InChIKey is LYPHRCJWPFMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-12(16-3)5-4-11-13(8)10(6-7-14)9(2)15-11/h4-5,15H,6-7,14H2,1-3H3.
What are the key properties of 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine?
2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82393219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).