N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine

C14H16N2 — CID 137265295

IUPACN-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
SMILESC/C(=N\c1cc(C)ccc1C)c1ccc[nH]1
InChIInChI=1S/C14H16N2/c1-10-6-7-11(2)14(9-10)16-12(3)13-5-4-8-15-13/h4-9,15H,1-3H3/b16-12+
InChIKeyQQMAANSBALEANZ-FOWTUZBSSA-N
MW212.30 g/mol
LogP3.77
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine

N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine (PubChem CID 137265295) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
PubChem CID137265295
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
SMILESC/C(=N\c1cc(C)ccc1C)c1ccc[nH]1
InChIInChI=1S/C14H16N2/c1-10-6-7-11(2)14(9-10)16-12(3)13-5-4-8-15-13/h4-9,15H,1-3H3/b16-12+
InChIKeyQQMAANSBALEANZ-FOWTUZBSSA-N
XLogP3.77
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.77
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-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
CID 139106045
2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
CID 136908398
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
CID 132819412
N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide
CID 63178280
3-(2,5-dimethylphenyl)imino-4-hydroxypent-4-en-2-one
CID 142909705
2-(3,4-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749249
2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
CID 101481145
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
CID 63748897
methyl N-(2,5-dimethylphenyl)propanimidate
CID 134963742
N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135071666
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444625
benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776178

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine (CID 137265295) is N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine is C/C(=N\c1cc(C)ccc1C)c1ccc[nH]1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
The InChIKey is QQMAANSBALEANZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-6-7-11(2)14(9-10)16-12(3)13-5-4-8-15-13/h4-9,15H,1-3H3/b16-12+.
What are the key properties of N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine?
N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine has a molecular weight of 212.30 g/mol, XLogP of 3.77, 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-pyrrol-2-yl)ethanimine is sourced from PubChem (CID 137265295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).