N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine

C15H20N2O — CID 102940127

IUPACN-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1COCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-13(16-2)15-9-6-10-17(15)12-18-11-14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3
InChIKeySGXZECQTMOVIBU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine

N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine (PubChem CID 102940127) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine
PubChem CID102940127
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1COCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-13(16-2)15-9-6-10-17(15)12-18-11-14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3
InChIKeySGXZECQTMOVIBU-UHFFFAOYSA-N
XLogP2.94
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
CID 116790170
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
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CID 102940740
N-methylmethanamine;phenylmethoxymethylbenzene
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2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 102940113
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79101845
N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
ethane;phenylmethoxymethylbenzene
CID 90943549
N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102745
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CID 79101753

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine (CID 102940127) is N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine is CNC(C)c1cccn1COCc1ccccc1.
What is the InChIKey of N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine?
The InChIKey is SGXZECQTMOVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-13(16-2)15-9-6-10-17(15)12-18-11-14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine?
N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 102940127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).