acetic acid;2-(1H-indol-3-yl)ethanamine

C12H16N2O2 — CID 57357905

IUPACacetic acid;2-(1H-indol-3-yl)ethanamine
SMILESCC(=O)O.NCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2.C2H4O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-2(3)4/h1-4,7,12H,5-6,11H2;1H3,(H,3,4)
InChIKeyDELLVMRKQDNBTI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.76
Rot. Bonds2

About acetic acid;2-(1H-indol-3-yl)ethanamine

acetic acid;2-(1H-indol-3-yl)ethanamine (PubChem CID 57357905) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is acetic acid;2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Nameacetic acid;2-(1H-indol-3-yl)ethanamine
PubChem CID57357905
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameacetic acid;2-(1H-indol-3-yl)ethanamine
SMILESCC(=O)O.NCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2.C2H4O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-2(3)4/h1-4,7,12H,5-6,11H2;1H3,(H,3,4)
InChIKeyDELLVMRKQDNBTI-UHFFFAOYSA-N
XLogP1.76
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromobutanoic acid;2-(1H-indol-3-yl)ethanamine
CID 175464144
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
S-[4-(1H-indol-3-yl)butyl] ethanethioate
CID 125470849
5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
CID 91332063
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
4-(1H-indol-3-yl)butanamide
CID 588715
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1H-indol-3-yl)ethanamine?
The IUPAC name of acetic acid;2-(1H-indol-3-yl)ethanamine (CID 57357905) is acetic acid;2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for acetic acid;2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for acetic acid;2-(1H-indol-3-yl)ethanamine is CC(=O)O.NCCc1c[nH]c2ccccc12.
What is the InChIKey of acetic acid;2-(1H-indol-3-yl)ethanamine?
The InChIKey is DELLVMRKQDNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H4O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-2(3)4/h1-4,7,12H,5-6,11H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-(1H-indol-3-yl)ethanamine?
acetic acid;2-(1H-indol-3-yl)ethanamine has a molecular weight of 220.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 57357905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).