(3-ethyl-1-methylindol-4-yl)methanamine

C12H16N2 — CID 115017614

IUPAC(3-ethyl-1-methylindol-4-yl)methanamine
SMILESCCc1cn(C)c2cccc(CN)c12
InChIInChI=1S/C12H16N2/c1-3-9-8-14(2)11-6-4-5-10(7-13)12(9)11/h4-6,8H,3,7,13H2,1-2H3
InChIKeyWTVLXMJYXISYLV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.20
Rot. Bonds2

About (3-ethyl-1-methylindol-4-yl)methanamine

(3-ethyl-1-methylindol-4-yl)methanamine (PubChem CID 115017614) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3-ethyl-1-methylindol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylindol-4-yl)methanamine
PubChem CID115017614
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3-ethyl-1-methylindol-4-yl)methanamine
SMILESCCc1cn(C)c2cccc(CN)c12
InChIInChI=1S/C12H16N2/c1-3-9-8-14(2)11-6-4-5-10(7-13)12(9)11/h4-6,8H,3,7,13H2,1-2H3
InChIKeyWTVLXMJYXISYLV-UHFFFAOYSA-N
XLogP2.20
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-methyl-3-(piperidin-1-ylmethyl)indol-4-yl]methanamine
CID 117171054
2-(1-methyl-3-nitroindol-4-yl)ethanamine
CID 83888685
3-ethyl-4,5-difluoro-1-methylindole
CID 126610746
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-4-yl]methanamine
CID 117171620
[3-(ethoxymethyl)-1-ethylindol-4-yl]methanamine
CID 117171670
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
5-(aminomethyl)-2-methyl-4-(trifluoromethyl)isoquinolin-1-one
CID 115063588
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
4-(3-chloro-1-methylindol-4-yl)butan-1-amine
CID 117345887
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
(1-methyl-3-propan-2-ylindazol-4-yl)methanamine
CID 105455775
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylindol-4-yl)methanamine?
The IUPAC name of (3-ethyl-1-methylindol-4-yl)methanamine (CID 115017614) is (3-ethyl-1-methylindol-4-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylindol-4-yl)methanamine?
The canonical SMILES for (3-ethyl-1-methylindol-4-yl)methanamine is CCc1cn(C)c2cccc(CN)c12.
What is the InChIKey of (3-ethyl-1-methylindol-4-yl)methanamine?
The InChIKey is WTVLXMJYXISYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-9-8-14(2)11-6-4-5-10(7-13)12(9)11/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of (3-ethyl-1-methylindol-4-yl)methanamine?
(3-ethyl-1-methylindol-4-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylindol-4-yl)methanamine is sourced from PubChem (CID 115017614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).