2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine

C14H18N2 — CID 82284563

IUPAC2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine
SMILESCc1cccc(C)c1-n1ccc(CCN)c1
InChIInChI=1S/C14H18N2/c1-11-4-3-5-12(2)14(11)16-9-7-13(10-16)6-8-15/h3-5,7,9-10H,6,8,15H2,1-2H3
InChIKeyOTJPZLFLDPDIDI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.60
Rot. Bonds3

About 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine

2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine (PubChem CID 82284563) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine
PubChem CID82284563
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine
SMILESCc1cccc(C)c1-n1ccc(CCN)c1
InChIInChI=1S/C14H18N2/c1-11-4-3-5-12(2)14(11)16-9-7-13(10-16)6-8-15/h3-5,7,9-10H,6,8,15H2,1-2H3
InChIKeyOTJPZLFLDPDIDI-UHFFFAOYSA-N
XLogP2.60
TPSA30.95 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)pyrrol-3-yl]ethanamine
CID 82286450
2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine
CID 82304023
2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
CID 82038957
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
3-[1-(2,6-dimethylphenyl)pyrrol-3-yl]prop-2-enal
CID 54266154
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[1-methyl-2-(2-methylphenyl)imidazol-4-yl]ethanamine
CID 82284699
2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
CID 66404826
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288535

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine (CID 82284563) is 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine is Cc1cccc(C)c1-n1ccc(CCN)c1.
What is the InChIKey of 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine?
The InChIKey is OTJPZLFLDPDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-4-3-5-12(2)14(11)16-9-7-13(10-16)6-8-15/h3-5,7,9-10H,6,8,15H2,1-2H3.
What are the key properties of 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine?
2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 82284563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).