2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C17H24N2 — CID 62475131

IUPAC2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCCc1cccc(C)c1NCc1cc(C)n(C)c1C
InChIInChI=1S/C17H24N2/c1-6-15-9-7-8-12(2)17(15)18-11-16-10-13(3)19(5)14(16)4/h7-10,18H,6,11H2,1-5H3
InChIKeyWMTAPMGJMUSJLH-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.12
Rot. Bonds4

About 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62475131) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62475131
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCCc1cccc(C)c1NCc1cc(C)n(C)c1C
InChIInChI=1S/C17H24N2/c1-6-15-9-7-8-12(2)17(15)18-11-16-10-13(3)19(5)14(16)4/h7-10,18H,6,11H2,1-5H3
InChIKeyWMTAPMGJMUSJLH-UHFFFAOYSA-N
XLogP4.12
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474954
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
1-(2-methylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanesulfonamide
CID 110642109
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448170
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
CID 12905140
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62475131) is 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is CCc1cccc(C)c1NCc1cc(C)n(C)c1C.
What is the InChIKey of 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is WMTAPMGJMUSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-15-9-7-8-12(2)17(15)18-11-16-10-13(3)19(5)14(16)4/h7-10,18H,6,11H2,1-5H3.
What are the key properties of 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 256.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62475131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).