1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine

C15H20N2O3 — CID 71922325

IUPAC1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(CNCc2cc[nH]c2)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-18-12-6-14(19-2)13(15(7-12)20-3)10-17-9-11-4-5-16-8-11/h4-8,16-17H,9-10H2,1-3H3
InChIKeyWFQYVLVRVAUQIC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds7

About 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine

1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine (PubChem CID 71922325) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
PubChem CID71922325
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(CNCc2cc[nH]c2)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-18-12-6-14(19-2)13(15(7-12)20-3)10-17-9-11-4-5-16-8-11/h4-8,16-17H,9-10H2,1-3H3
InChIKeyWFQYVLVRVAUQIC-UHFFFAOYSA-N
XLogP2.33
TPSA55.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
1-(1,3-benzodioxol-5-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 30609570
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 119107461
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81370646
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine (CID 71922325) is 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(CNCc2cc[nH]c2)c(OC)c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The InChIKey is WFQYVLVRVAUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-18-12-6-14(19-2)13(15(7-12)20-3)10-17-9-11-4-5-16-8-11/h4-8,16-17H,9-10H2,1-3H3.
What are the key properties of 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 71922325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).