1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

C17H24N2O — CID 79105867

IUPAC1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H24N2O/c1-5-16(18-3)14-8-9-19(11-14)12-15-10-13(2)6-7-17(15)20-4/h6-11,16,18H,5,12H2,1-4H3
InChIKeyJJEQSJDXGDWMJF-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.52
Rot. Bonds6

About 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (PubChem CID 79105867) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
PubChem CID79105867
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H24N2O/c1-5-16(18-3)14-8-9-19(11-14)12-15-10-13(2)6-7-17(15)20-4/h6-11,16,18H,5,12H2,1-4H3
InChIKeyJJEQSJDXGDWMJF-UHFFFAOYSA-N
XLogP3.52
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629
N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105497
1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105423
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105735
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109370
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107502
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
N-methyl-1-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109106
1-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 114084623
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
CID 79109475
N-methyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104717

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (CID 79105867) is 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is CCC(NC)c1ccn(Cc2cc(C)ccc2OC)c1.
What is the InChIKey of 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The InChIKey is JJEQSJDXGDWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-16(18-3)14-8-9-19(11-14)12-15-10-13(2)6-7-17(15)20-4/h6-11,16,18H,5,12H2,1-4H3.
What are the key properties of 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79105867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).