1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine

C17H24N2O — CID 79097214

IUPAC1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(Cc2ccccc2OC)c1)C(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)17(18-3)15-9-10-19(12-15)11-14-7-5-6-8-16(14)20-4/h5-10,12-13,17-18H,11H2,1-4H3
InChIKeyANNGNSCHDZZPFQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.46
Rot. Bonds6

About 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine

1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine (PubChem CID 79097214) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
PubChem CID79097214
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(Cc2ccccc2OC)c1)C(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)17(18-3)15-9-10-19(12-15)11-14-7-5-6-8-16(14)20-4/h5-10,12-13,17-18H,11H2,1-4H3
InChIKeyANNGNSCHDZZPFQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine (CID 79097214) is 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccn(Cc2ccccc2OC)c1)C(C)C.
What is the InChIKey of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is ANNGNSCHDZZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)17(18-3)15-9-10-19(12-15)11-14-7-5-6-8-16(14)20-4/h5-10,12-13,17-18H,11H2,1-4H3.
What are the key properties of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79097214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).