2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline

C14H18N2 — CID 66409186

IUPAC2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCCc1cccc(C)c1NCc1cc[nH]c1
InChIInChI=1S/C14H18N2/c1-3-13-6-4-5-11(2)14(13)16-10-12-7-8-15-9-12/h4-9,15-16H,3,10H2,1-2H3
InChIKeyHZILOSXHRDJXJW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.50
Rot. Bonds4

About 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline

2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline (PubChem CID 66409186) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
PubChem CID66409186
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCCc1cccc(C)c1NCc1cc[nH]c1
InChIInChI=1S/C14H18N2/c1-3-13-6-4-5-11(2)14(13)16-10-12-7-8-15-9-12/h4-9,15-16H,3,10H2,1-2H3
InChIKeyHZILOSXHRDJXJW-UHFFFAOYSA-N
XLogP3.50
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
CID 63490881
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
2-ethyl-6-methyl-N-[(4-methyl-1,2,5-thiadiazol-3-yl)methyl]aniline
CID 12905140

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The IUPAC name of 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline (CID 66409186) is 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline is CCc1cccc(C)c1NCc1cc[nH]c1.
What is the InChIKey of 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The InChIKey is HZILOSXHRDJXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-13-6-4-5-11(2)14(13)16-10-12-7-8-15-9-12/h4-9,15-16H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline has a molecular weight of 214.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline is sourced from PubChem (CID 66409186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).