1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride

C14H19ClN2O — CID 17332688

IUPAC1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
SMILESCOc1ccc(CNCc2cccn2C)cc1.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-16-9-3-4-13(16)11-15-10-12-5-7-14(17-2)8-6-12;/h3-9,15H,10-11H2,1-2H3;1H
InChIKeyLJBXZDITXFWTMC-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.75
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride

1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride (PubChem CID 17332688) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
PubChem CID17332688
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
SMILESCOc1ccc(CNCc2cccn2C)cc1.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-16-9-3-4-13(16)11-15-10-12-5-7-14(17-2)8-6-12;/h3-9,15H,10-11H2,1-2H3;1H
InChIKeyLJBXZDITXFWTMC-UHFFFAOYSA-N
XLogP2.75
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride (CID 17332688) is 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride is COc1ccc(CNCc2cccn2C)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
The InChIKey is LJBXZDITXFWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-16-9-3-4-13(16)11-15-10-12-5-7-14(17-2)8-6-12;/h3-9,15H,10-11H2,1-2H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17332688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).