1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

C17H24N2 — CID 79105423

IUPAC1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H24N2/c1-5-17(18-4)16-6-7-19(12-16)11-15-9-13(2)8-14(3)10-15/h6-10,12,17-18H,5,11H2,1-4H3
InChIKeyGFXVTWROWSFNSQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.82
Rot. Bonds5

About 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (PubChem CID 79105423) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
PubChem CID79105423
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H24N2/c1-5-17(18-4)16-6-7-19(12-16)11-15-9-13(2)8-14(3)10-15/h6-10,12,17-18H,5,11H2,1-4H3
InChIKeyGFXVTWROWSFNSQ-UHFFFAOYSA-N
XLogP3.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (CID 79105423) is 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is CCC(NC)c1ccn(Cc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The InChIKey is GFXVTWROWSFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-17(18-4)16-6-7-19(12-16)11-15-9-13(2)8-14(3)10-15/h6-10,12,17-18H,5,11H2,1-4H3.
What are the key properties of 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79105423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).