N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine

C18H26N2O — CID 66414575

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2ccccc2COCC)c1
InChIInChI=1S/C18H26N2O/c1-3-10-20-11-9-16(14-20)12-19-13-17-7-5-6-8-18(17)15-21-4-2/h5-9,11,14,19H,3-4,10,12-13,15H2,1-2H3
InChIKeyXCUMDVUYSVSKKZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.72
Rot. Bonds9

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 66414575) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID66414575
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2ccccc2COCC)c1
InChIInChI=1S/C18H26N2O/c1-3-10-20-11-9-16(14-20)12-19-13-17-7-5-6-8-18(17)15-21-4-2/h5-9,11,14,19H,3-4,10,12-13,15H2,1-2H3
InChIKeyXCUMDVUYSVSKKZ-UHFFFAOYSA-N
XLogP3.72
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 60753165
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
1-(3-bromophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]methanamine
CID 60752045
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
CID 82720010
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine (CID 66414575) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNCc2ccccc2COCC)c1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is XCUMDVUYSVSKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-10-20-11-9-16(14-20)12-19-13-17-7-5-6-8-18(17)15-21-4-2/h5-9,11,14,19H,3-4,10,12-13,15H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine has a molecular weight of 286.42 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66414575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).