2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine

C14H19N3O — CID 82895978

IUPAC2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
SMILESCOc1cc(C)nc(Cn2cccc2CCN)c1
InChIInChI=1S/C14H19N3O/c1-11-8-14(18-2)9-12(16-11)10-17-7-3-4-13(17)5-6-15/h3-4,7-9H,5-6,10,15H2,1-2H3
InChIKeyXCJYFCIZHSYVMV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.75
Rot. Bonds5

About 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine

2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 82895978) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID82895978
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
SMILESCOc1cc(C)nc(Cn2cccc2CCN)c1
InChIInChI=1S/C14H19N3O/c1-11-8-14(18-2)9-12(16-11)10-17-7-3-4-13(17)5-6-15/h3-4,7-9H,5-6,10,15H2,1-2H3
InChIKeyXCJYFCIZHSYVMV-UHFFFAOYSA-N
XLogP1.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
CID 82895318
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 82896153
4-methoxy-2-methyl-6-(pyrrol-1-ylmethyl)pyridine
CID 82896081
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
CID 66404025
3-(aminomethyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-6-methylpyridin-2-one
CID 107073231
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406454
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 102878793
2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 66404225
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine (CID 82895978) is 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine is COc1cc(C)nc(Cn2cccc2CCN)c1.
What is the InChIKey of 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is XCJYFCIZHSYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-8-14(18-2)9-12(16-11)10-17-7-3-4-13(17)5-6-15/h3-4,7-9H,5-6,10,15H2,1-2H3.
What are the key properties of 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 82895978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).