1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine

C14H18N2 — CID 43090175

IUPAC1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C14H18N2/c1-11-9-13(10-15-3)12(2)16(11)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKeyGACAYHPMVNHLIB-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine

1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine (PubChem CID 43090175) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
PubChem CID43090175
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C14H18N2/c1-11-9-13(10-15-3)12(2)16(11)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKeyGACAYHPMVNHLIB-UHFFFAOYSA-N
XLogP2.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-methylpropan-2-amine
CID 43154800
1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
CID 171342960
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine
CID 43371760
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
CID 50850667
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]methanamine
CID 46946071
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
CID 43090159
3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanamide
CID 43553150
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 43214585
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64550358
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62636061
4-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]butanamide
CID 60865560

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine (CID 43090175) is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine is CNCc1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine?
The InChIKey is GACAYHPMVNHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-9-13(10-15-3)12(2)16(11)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine?
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 43090175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).