2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine

C16H18N2O — CID 82381141

IUPAC2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2c(C(N)Cc3ccc(C)o3)c[nH]c2c1
InChIInChI=1S/C16H18N2O/c1-10-3-6-13-14(9-18-16(13)7-10)15(17)8-12-5-4-11(2)19-12/h3-7,9,15,18H,8,17H2,1-2H3
InChIKeyCGZVHLVQXJZVQV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine

2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine (PubChem CID 82381141) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
PubChem CID82381141
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2c(C(N)Cc3ccc(C)o3)c[nH]c2c1
InChIInChI=1S/C16H18N2O/c1-10-3-6-13-14(9-18-16(13)7-10)15(17)8-12-5-4-11(2)19-12/h3-7,9,15,18H,8,17H2,1-2H3
InChIKeyCGZVHLVQXJZVQV-UHFFFAOYSA-N
XLogP3.62
TPSA54.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
2-(1-methylimidazol-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82381092
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
CID 119082213
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
cyclopropylmethyl 3-amino-2-(6-methyl-1H-indol-3-yl)-3-oxopropanoate
CID 67394250
(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
CID 71519294
ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 78166336

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine (CID 82381141) is 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine is Cc1ccc2c(C(N)Cc3ccc(C)o3)c[nH]c2c1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is CGZVHLVQXJZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-3-6-13-14(9-18-16(13)7-10)15(17)8-12-5-4-11(2)19-12/h3-7,9,15,18H,8,17H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine?
2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 254.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82381141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).