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

C14H18N2 — CID 82284564

IUPAC2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
SMILESCCc1ccc(-n2cccc2CCN)cc1
InChIInChI=1S/C14H18N2/c1-2-12-5-7-14(8-6-12)16-11-3-4-13(16)9-10-15/h3-8,11H,2,9-10,15H2,1H3
InChIKeyCNLJQNLGNBISRI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.54
Rot. Bonds4

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

2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine (PubChem CID 82284564) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
PubChem CID82284564
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
SMILESCCc1ccc(-n2cccc2CCN)cc1
InChIInChI=1S/C14H18N2/c1-2-12-5-7-14(8-6-12)16-11-3-4-13(16)9-10-15/h3-8,11H,2,9-10,15H2,1H3
InChIKeyCNLJQNLGNBISRI-UHFFFAOYSA-N
XLogP2.54
TPSA30.95 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
CID 95457458
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
2-[1-(6-methyl-2-pyridinyl)pyrrol-2-yl]ethanamine
CID 170868965
3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879074
1-(4-methoxyphenyl)-2-pentylpyrrole
CID 86037398
2-[4-bromo-1-(4-ethylphenyl)pyrazol-3-yl]ethanamine
CID 116818567
2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine
CID 82471356
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
methyl 1-[4-(aminomethyl)phenyl]pyrrole-2-carboxylate
CID 86071262
2-[1-[(4-iodophenyl)methyl]pyrrol-2-yl]ethanamine
CID 66404442

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine (CID 82284564) is 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine is CCc1ccc(-n2cccc2CCN)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine?
The InChIKey is CNLJQNLGNBISRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-12-5-7-14(8-6-12)16-11-3-4-13(16)9-10-15/h3-8,11H,2,9-10,15H2,1H3.
What are the key properties of 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine?
2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 82284564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).