N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline

C14H18N2O — CID 66411865

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
SMILESCCn1cccc1CNc1ccccc1OC
InChIInChI=1S/C14H18N2O/c1-3-16-10-6-7-12(16)11-15-13-8-4-5-9-14(13)17-2/h4-10,15H,3,11H2,1-2H3
InChIKeyOCWSMDYOSNURLZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.13
Rot. Bonds5

About N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline

N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline (PubChem CID 66411865) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
PubChem CID66411865
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
SMILESCCn1cccc1CNc1ccccc1OC
InChIInChI=1S/C14H18N2O/c1-3-16-10-6-7-12(16)11-15-13-8-4-5-9-14(13)17-2/h4-10,15H,3,11H2,1-2H3
InChIKeyOCWSMDYOSNURLZ-UHFFFAOYSA-N
XLogP3.13
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939
2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 66411921
methyl 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylbenzoate
CID 66411733
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine
CID 103292079
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline (CID 66411865) is N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline is CCn1cccc1CNc1ccccc1OC.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
The InChIKey is OCWSMDYOSNURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16-10-6-7-12(16)11-15-13-8-4-5-9-14(13)17-2/h4-10,15H,3,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline has a molecular weight of 230.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 66411865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).