2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine

C15H20N2O — CID 145362966

IUPAC2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
SMILESCN.Cc1ccc(-n2c(C)cc(C=O)c2C)cc1
InChIInChI=1S/C14H15NO.CH5N/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3;1-2/h4-9H,1-3H3;2H2,1H3
InChIKeyBHSFXHXLBJBPET-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.79
Rot. Bonds2

About 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine

2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine (PubChem CID 145362966) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
PubChem CID145362966
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
SMILESCN.Cc1ccc(-n2c(C)cc(C=O)c2C)cc1
InChIInChI=1S/C14H15NO.CH5N/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3;1-2/h4-9H,1-3H3;2H2,1H3
InChIKeyBHSFXHXLBJBPET-UHFFFAOYSA-N
XLogP2.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974661
4-(3-formyl-2,5-dimethylpyrrol-1-yl)-N,N-dimethylbenzamide
CID 22163927
2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-3-carbaldehyde
CID 29039823
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 1121681
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774
1-(6-bromonaphthalen-2-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 81259364
butyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate
CID 2280392
2,3,5-trimethyl-1-(4-methylphenyl)pyrrole
CID 139373855
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 24694826
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974668
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 880088
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
CID 4598035

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine?
The IUPAC name of 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine (CID 145362966) is 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine?
The canonical SMILES for 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine is CN.Cc1ccc(-n2c(C)cc(C=O)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine?
The InChIKey is BHSFXHXLBJBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.CH5N/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3;1-2/h4-9H,1-3H3;2H2,1H3.
What are the key properties of 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine?
2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine is sourced from PubChem (CID 145362966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).