2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine

C13H16N2 — CID 82282287

IUPAC2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
SMILESCc1ccc(-n2cccc2CCN)cc1
InChIInChI=1S/C13H16N2/c1-11-4-6-13(7-5-11)15-10-2-3-12(15)8-9-14/h2-7,10H,8-9,14H2,1H3
InChIKeyJUWYJYNDKJYKMT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds3

About 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine

2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine (PubChem CID 82282287) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
PubChem CID82282287
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
SMILESCc1ccc(-n2cccc2CCN)cc1
InChIInChI=1S/C13H16N2/c1-11-4-6-13(7-5-11)15-10-2-3-12(15)8-9-14/h2-7,10H,8-9,14H2,1H3
InChIKeyJUWYJYNDKJYKMT-UHFFFAOYSA-N
XLogP2.29
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
CID 82284564
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
CID 95457458
2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
CID 82288882
N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-2-amine
CID 50850380
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
2-[1-(6-methyl-2-pyridinyl)pyrrol-2-yl]ethanamine
CID 170868965
1-[1-(4-methylphenyl)pyrrol-2-yl]ethane-1,2-diamine
CID 170894777
1-(4-methylphenyl)pyridin-2-one
CID 10821386
N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine
CID 50850395
2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole
CID 122399825
1-(4-methylphenyl)-2-propan-2-ylpyrrole
CID 67473616

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine (CID 82282287) is 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine is Cc1ccc(-n2cccc2CCN)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine?
The InChIKey is JUWYJYNDKJYKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11-4-6-13(7-5-11)15-10-2-3-12(15)8-9-14/h2-7,10H,8-9,14H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine?
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine has a molecular weight of 200.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 82282287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).