N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine

C17H16N2 — CID 693741

IUPACN-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
SMILESCc1ccc(C)c(/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H16N2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-11,18H,1-2H3/b19-11+
InChIKeyPFROVLAYVAJYHF-YBFXNURJSA-N
MW248.33 g/mol
LogP4.54
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine

N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine (PubChem CID 693741) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
PubChem CID693741
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
SMILESCc1ccc(C)c(/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H16N2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-11,18H,1-2H3/b19-11+
InChIKeyPFROVLAYVAJYHF-YBFXNURJSA-N
XLogP4.54
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
N-(1H-indol-3-yl)-1-[2-(1H-indol-3-yliminomethyl)phenyl]methanimine
CID 66551006
2-(1H-indol-3-ylmethylideneamino)benzonitrile
CID 686965
1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
CID 137224330
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
CID 136873762
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873473

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine (CID 693741) is N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine is Cc1ccc(C)c(/N=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine?
The InChIKey is PFROVLAYVAJYHF-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-11,18H,1-2H3/b19-11+.
What are the key properties of N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine?
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine has a molecular weight of 248.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine is sourced from PubChem (CID 693741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).