2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline

C15H20N2 — CID 62132954

IUPAC2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCc1cc(C)c(NCc2cccn2C)c(C)c1
InChIInChI=1S/C15H20N2/c1-11-8-12(2)15(13(3)9-11)16-10-14-6-5-7-17(14)4/h5-9,16H,10H2,1-4H3
InChIKeyRFJLOPIAGSSRSI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.56
Rot. Bonds3

About 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline

2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 62132954) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID62132954
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCc1cc(C)c(NCc2cccn2C)c(C)c1
InChIInChI=1S/C15H20N2/c1-11-8-12(2)15(13(3)9-11)16-10-14-6-5-7-17(14)4/h5-9,16H,10H2,1-4H3
InChIKeyRFJLOPIAGSSRSI-UHFFFAOYSA-N
XLogP3.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-2-nitroaniline
CID 62132426
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877030
1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62128757
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
CID 29008129
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
2,4,6-trimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474954
2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877385
6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
CID 115663458
N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine
CID 107234475

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 62132954) is 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline is Cc1cc(C)c(NCc2cccn2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is RFJLOPIAGSSRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-8-12(2)15(13(3)9-11)16-10-14-6-5-7-17(14)4/h5-9,16H,10H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 228.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 62132954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).