3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide

C18H21N3O — CID 163925593

IUPAC3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide
SMILESCN(C)C(c1ccccc1)c1c[nH]c2cc([NH+](C)[O-])ccc12
InChIInChI=1S/C18H21N3O/c1-20(2)18(13-7-5-4-6-8-13)16-12-19-17-11-14(21(3)22)9-10-15(16)17/h4-12,18-19,21H,1-3H3
InChIKeyREEOKXMQQPJBHJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.46
Rot. Bonds4

About 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide

3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide (PubChem CID 163925593) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide.

Molecular Properties

Compound Name3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide
PubChem CID163925593
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide
SMILESCN(C)C(c1ccccc1)c1c[nH]c2cc([NH+](C)[O-])ccc12
InChIInChI=1S/C18H21N3O/c1-20(2)18(13-7-5-4-6-8-13)16-12-19-17-11-14(21(3)22)9-10-15(16)17/h4-12,18-19,21H,1-3H3
InChIKeyREEOKXMQQPJBHJ-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[dimethylamino(phenyl)methyl]-1H-indol-6-yl] hydrogen carbonate
CID 69375905
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine
CID 110453329
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
CID 57379323
N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
CID 26741856
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
CID 110453531
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
CID 102428892
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
1-(4-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)methanamine
CID 110453486

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide?
The IUPAC name of 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide (CID 163925593) is 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide.
What is the SMILES notation for 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide?
The canonical SMILES for 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide is CN(C)C(c1ccccc1)c1c[nH]c2cc([NH+](C)[O-])ccc12.
What is the InChIKey of 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide?
The InChIKey is REEOKXMQQPJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)18(13-7-5-4-6-8-13)16-12-19-17-11-14(21(3)22)9-10-15(16)17/h4-12,18-19,21H,1-3H3.
What are the key properties of 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide?
3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide has a molecular weight of 295.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino(phenyl)methyl]-N-methyl-1H-indol-6-amine oxide is sourced from PubChem (CID 163925593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).