1-(4-methyl-1H-indol-3-yl)ethanamine

C11H14N2 — CID 82598720

IUPAC1-(4-methyl-1H-indol-3-yl)ethanamine
SMILESCc1cccc2[nH]cc(C(C)N)c12
InChIInChI=1S/C11H14N2/c1-7-4-3-5-10-11(7)9(6-13-10)8(2)12/h3-6,8,13H,12H2,1-2H3
InChIKeyJGKHYJOBKICLLR-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-methyl-1H-indol-3-yl)ethanamine

1-(4-methyl-1H-indol-3-yl)ethanamine (PubChem CID 82598720) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(4-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1H-indol-3-yl)ethanamine
PubChem CID82598720
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(4-methyl-1H-indol-3-yl)ethanamine
SMILESCc1cccc2[nH]cc(C(C)N)c12
InChIInChI=1S/C11H14N2/c1-7-4-3-5-10-11(7)9(6-13-10)8(2)12/h3-6,8,13H,12H2,1-2H3
InChIKeyJGKHYJOBKICLLR-UHFFFAOYSA-N
XLogP2.50
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-propan-2-yl-1H-indole
CID 123915873
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
3-methyl-4-propan-2-yl-1H-indole
CID 142488673
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
CID 84737103
(2S,3S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944842
(2S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944821
3,4-dimethyl-1H-indole;ethane
CID 143293593
3-(1-cyclopenta-1,4-dien-1-ylethyl)-4-methyl-1H-indole
CID 137287643
ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
CID 171867517
1-(8-methylnaphthalen-1-yl)ethanamine
CID 105441726
4-butan-2-yl-3-methyl-1H-indole
CID 123926805

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(4-methyl-1H-indol-3-yl)ethanamine (CID 82598720) is 1-(4-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-1H-indol-3-yl)ethanamine is Cc1cccc2[nH]cc(C(C)N)c12.
What is the InChIKey of 1-(4-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is JGKHYJOBKICLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-4-3-5-10-11(7)9(6-13-10)8(2)12/h3-6,8,13H,12H2,1-2H3.
What are the key properties of 1-(4-methyl-1H-indol-3-yl)ethanamine?
1-(4-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 174.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82598720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).