1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

C15H20N2O2 — CID 62328738

IUPAC1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc[nH]2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-11(17-10-12-5-4-8-16-12)14-7-6-13(18-2)9-15(14)19-3/h4-9,11,16-17H,10H2,1-3H3
InChIKeyUQURQKAJKPCZID-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.88
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 62328738) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID62328738
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc[nH]2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-11(17-10-12-5-4-8-16-12)14-7-6-13(18-2)9-15(14)19-3/h4-9,11,16-17H,10H2,1-3H3
InChIKeyUQURQKAJKPCZID-UHFFFAOYSA-N
XLogP2.88
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62130800
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81378080
1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663586
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66399471
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 62328738) is 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is COc1ccc(C(C)NCc2ccc[nH]2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is UQURQKAJKPCZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(17-10-12-5-4-8-16-12)14-7-6-13(18-2)9-15(14)19-3/h4-9,11,16-17H,10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 62328738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).