4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline

C14H18N2 — CID 28877030

IUPAC4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCCc1ccc(NCc2cccn2C)cc1
InChIInChI=1S/C14H18N2/c1-3-12-6-8-13(9-7-12)15-11-14-5-4-10-16(14)2/h4-10,15H,3,11H2,1-2H3
InChIKeyIQXXPDDRMKOIRI-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.20
Rot. Bonds4

About 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline

4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 28877030) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID28877030
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCCc1ccc(NCc2cccn2C)cc1
InChIInChI=1S/C14H18N2/c1-3-12-6-8-13(9-7-12)15-11-14-5-4-10-16(14)2/h4-10,15H,3,11H2,1-2H3
InChIKeyIQXXPDDRMKOIRI-UHFFFAOYSA-N
XLogP3.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea
CID 62131330
4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132582
4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132218
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62128757
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
CID 29008129
N,4-diethylaniline
CID 6429431
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82709339
2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132954

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 28877030) is 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline is CCc1ccc(NCc2cccn2C)cc1.
What is the InChIKey of 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is IQXXPDDRMKOIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-12-6-8-13(9-7-12)15-11-14-5-4-10-16(14)2/h4-10,15H,3,11H2,1-2H3.
What are the key properties of 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline?
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 214.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 28877030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).