2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline

C15H20N2O — CID 66411864

IUPAC2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1ccccc1OC
InChIInChI=1S/C15H20N2O/c1-3-10-17-11-6-7-13(17)12-16-14-8-4-5-9-15(14)18-2/h4-9,11,16H,3,10,12H2,1-2H3
InChIKeyFAPFWEPOIOYTLR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.52
Rot. Bonds6

About 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline

2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline (PubChem CID 66411864) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
PubChem CID66411864
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1ccccc1OC
InChIInChI=1S/C15H20N2O/c1-3-10-17-11-6-7-13(17)12-16-14-8-4-5-9-15(14)18-2/h4-9,11,16H,3,10,12H2,1-2H3
InChIKeyFAPFWEPOIOYTLR-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
ethyl 2-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66412680
4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
2-bromo-5-chloro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81263969
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline (CID 66411864) is 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline is CCCn1cccc1CNc1ccccc1OC.
What is the InChIKey of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The InChIKey is FAPFWEPOIOYTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-10-17-11-6-7-13(17)12-16-14-8-4-5-9-15(14)18-2/h4-9,11,16H,3,10,12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 66411864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).