2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine

C14H18N2O2 — CID 95457458

IUPAC2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
SMILESCOc1ccc(-n2cccc2CCN)cc1OC
InChIInChI=1S/C14H18N2O2/c1-17-13-6-5-12(10-14(13)18-2)16-9-3-4-11(16)7-8-15/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyCLWQYPGZMVSTFZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine

2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine (PubChem CID 95457458) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
PubChem CID95457458
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
SMILESCOc1ccc(-n2cccc2CCN)cc1OC
InChIInChI=1S/C14H18N2O2/c1-17-13-6-5-12(10-14(13)18-2)16-9-3-4-11(16)7-8-15/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyCLWQYPGZMVSTFZ-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
CID 82288882
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406454
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
1-(4-methoxyphenyl)-2-pentylpyrrole
CID 86037398
2-[1-(6-methyl-2-pyridinyl)pyrrol-2-yl]ethanamine
CID 170868965
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
CID 22424261

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine (CID 95457458) is 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine is COc1ccc(-n2cccc2CCN)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine?
The InChIKey is CLWQYPGZMVSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-13-6-5-12(10-14(13)18-2)16-9-3-4-11(16)7-8-15/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine?
2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 95457458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).