1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine

C16H22N2O — CID 62473866

IUPAC1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C16H22N2O/c1-12-8-15(13(2)18(12)3)11-17-10-14-6-5-7-16(9-14)19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyRGHJHPCJRPRGMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.94
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine (PubChem CID 62473866) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
PubChem CID62473866
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C16H22N2O/c1-12-8-15(13(2)18(12)3)11-17-10-14-6-5-7-16(9-14)19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyRGHJHPCJRPRGMV-UHFFFAOYSA-N
XLogP2.94
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773658
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542
4-[[(3-methoxyphenyl)methylamino]methyl]-3-methylbenzonitrile
CID 114479910
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine (CID 62473866) is 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine is COc1cccc(CNCc2cc(C)n(C)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
The InChIKey is RGHJHPCJRPRGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-8-15(13(2)18(12)3)11-17-10-14-6-5-7-16(9-14)19-4/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 62473866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).