2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide

C17H19N3 — CID 24695357

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1c2ccccc2CC1C
InChIInChI=1S/C17H19N3/c1-12-10-13-6-3-5-9-16(13)20(12)11-14-7-2-4-8-15(14)17(18)19/h2-9,12H,10-11H2,1H3,(H3,18,19)
InChIKeyDOVQNCKQQGSKMQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.92
Rot. Bonds3

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide (PubChem CID 24695357) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
PubChem CID24695357
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1c2ccccc2CC1C
InChIInChI=1S/C17H19N3/c1-12-10-13-6-3-5-9-16(13)20(12)11-14-7-2-4-8-15(14)17(18)19/h2-9,12H,10-11H2,1H3,(H3,18,19)
InChIKeyDOVQNCKQQGSKMQ-UHFFFAOYSA-N
XLogP2.92
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 43185472
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 60974617
2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24708467
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarbothioamide
CID 43096906
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide (CID 24695357) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN1c2ccccc2CC1C.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
The InChIKey is DOVQNCKQQGSKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-10-13-6-3-5-9-16(13)20(12)11-14-7-2-4-8-15(14)17(18)19/h2-9,12H,10-11H2,1H3,(H3,18,19).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24695357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).