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

C14H19ClN2 — CID 17332528

IUPAC1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2cccn2C)cc1.Cl
InChIInChI=1S/C14H18N2.ClH/c1-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16(14)2;/h3-9,15H,10-11H2,1-2H3;1H
InChIKeyKJQIOUJBHUSHID-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.05
Rot. Bonds4

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

1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride (PubChem CID 17332528) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
PubChem CID17332528
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2cccn2C)cc1.Cl
InChIInChI=1S/C14H18N2.ClH/c1-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16(14)2;/h3-9,15H,10-11H2,1-2H3;1H
InChIKeyKJQIOUJBHUSHID-UHFFFAOYSA-N
XLogP3.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride (CID 17332528) is 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride is Cc1ccc(CNCc2cccn2C)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
The InChIKey is KJQIOUJBHUSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c1-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16(14)2;/h3-9,15H,10-11H2,1-2H3;1H.
What are the key properties of 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride?
1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17332528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).