acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine

C22H27N3O2 — CID 144937830

IUPACacetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
SMILESCC(=O)O.[H]/N=C(\Cc1ccccc1C)c1cn(C)c2ccc(N(C)C)cc12
InChIInChI=1S/C20H23N3.C2H4O2/c1-14-7-5-6-8-15(14)11-19(21)18-13-23(4)20-10-9-16(22(2)3)12-17(18)20;1-2(3)4/h5-10,12-13,21H,11H2,1-4H3;1H3,(H,3,4)/b21-19+;
InChIKeyMFJANQWALJRYIW-UXJRWBAGSA-N
MW365.48 g/mol
LogP4.25
Rot. Bonds4

About acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine

acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine (PubChem CID 144937830) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine.

Molecular Properties

Compound Nameacetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
PubChem CID144937830
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Nameacetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
SMILESCC(=O)O.[H]/N=C(\Cc1ccccc1C)c1cn(C)c2ccc(N(C)C)cc12
InChIInChI=1S/C20H23N3.C2H4O2/c1-14-7-5-6-8-15(14)11-19(21)18-13-23(4)20-10-9-16(22(2)3)12-17(18)20;1-2(3)4/h5-10,12-13,21H,11H2,1-4H3;1H3,(H,3,4)/b21-19+;
InChIKeyMFJANQWALJRYIW-UXJRWBAGSA-N
XLogP4.25
TPSA69.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium
CID 163503504
acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261116
6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937984
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
CID 144937970
acetic acid;3-ethanimidoyl-1-methylindole-5-carbonitrile
CID 144937972
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261102
1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937853
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937875
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine?
The IUPAC name of acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine (CID 144937830) is acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine.
What is the SMILES notation for acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine?
The canonical SMILES for acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine is CC(=O)O.[H]/N=C(\Cc1ccccc1C)c1cn(C)c2ccc(N(C)C)cc12.
What is the InChIKey of acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine?
The InChIKey is MFJANQWALJRYIW-UXJRWBAGSA-N. The full InChI is InChI=1S/C20H23N3.C2H4O2/c1-14-7-5-6-8-15(14)11-19(21)18-13-23(4)20-10-9-16(22(2)3)12-17(18)20;1-2(3)4/h5-10,12-13,21H,11H2,1-4H3;1H3,(H,3,4)/b21-19+;.
What are the key properties of acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine?
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine has a molecular weight of 365.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine is sourced from PubChem (CID 144937830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).