1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine

C13H18N2O — CID 76846668

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
SMILESCCc1cccc2c(C(N)COC)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-3-9-5-4-6-10-11(7-15-13(9)10)12(14)8-16-2/h4-7,12,15H,3,8,14H2,1-2H3
InChIKeyWCZCWCNIRHOBMS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds4

About 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine

1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine (PubChem CID 76846668) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
PubChem CID76846668
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine
SMILESCCc1cccc2c(C(N)COC)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-3-9-5-4-6-10-11(7-15-13(9)10)12(14)8-16-2/h4-7,12,15H,3,8,14H2,1-2H3
InChIKeyWCZCWCNIRHOBMS-UHFFFAOYSA-N
XLogP2.38
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431
cyclohexyl-(7-ethyl-1H-indol-3-yl)methanamine
CID 82277764
7-ethyl-3-methyl-1H-indole
CID 13271010
1-(7-ethyl-1H-indol-3-yl)butan-2-amine
CID 154181307
2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol
CID 76846651
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
N-[2-[bis(7-ethyl-1H-indol-3-yl)methyl]phenyl]methanesulfonamide
CID 42609985
4-[bis(7-ethyl-1H-indol-3-yl)methyl]-N,N-diethylaniline
CID 22332437

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine (CID 76846668) is 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine is CCc1cccc2c(C(N)COC)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine?
The InChIKey is WCZCWCNIRHOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-5-4-6-10-11(7-15-13(9)10)12(14)8-16-2/h4-7,12,15H,3,8,14H2,1-2H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine?
1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-methoxyethanamine is sourced from PubChem (CID 76846668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).