[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride

C15H21ClN2O2 — CID 122164314

IUPAC[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(-n2c(C)cc(CN)c2C)cc1OC.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10-7-12(9-16)11(2)17(10)13-5-6-14(18-3)15(8-13)19-4;/h5-8H,9,16H2,1-4H3;1H
InChIKeyGZMDXDHGGOEMMM-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.99
Rot. Bonds4

About [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride

[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride (PubChem CID 122164314) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride
PubChem CID122164314
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(-n2c(C)cc(CN)c2C)cc1OC.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10-7-12(9-16)11(2)17(10)13-5-6-14(18-3)15(8-13)19-4;/h5-8H,9,16H2,1-4H3;1H
InChIKeyGZMDXDHGGOEMMM-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride (CID 122164314) is [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride is COc1ccc(-n2c(C)cc(CN)c2C)cc1OC.Cl.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride?
The InChIKey is GZMDXDHGGOEMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-10-7-12(9-16)11(2)17(10)13-5-6-14(18-3)15(8-13)19-4;/h5-8H,9,16H2,1-4H3;1H.
What are the key properties of [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride?
[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 122164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).