N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline

C17H24N2O — CID 79604739

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
SMILESCCn1c(C)cc(CNc2cc(C)ccc2OC)c1C
InChIInChI=1S/C17H24N2O/c1-6-19-13(3)10-15(14(19)4)11-18-16-9-12(2)7-8-17(16)20-5/h7-10,18H,6,11H2,1-5H3
InChIKeyVHAXXZOQVFPBSA-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.05
Rot. Bonds5

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline (PubChem CID 79604739) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
PubChem CID79604739
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
SMILESCCn1c(C)cc(CNc2cc(C)ccc2OC)c1C
InChIInChI=1S/C17H24N2O/c1-6-19-13(3)10-15(14(19)4)11-18-16-9-12(2)7-8-17(16)20-5/h7-10,18H,6,11H2,1-5H3
InChIKeyVHAXXZOQVFPBSA-UHFFFAOYSA-N
XLogP4.05
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline
CID 79604328
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8993770
4-bromo-2-ethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 81292419
2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62747080
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
4-bromo-2,3-dichloro-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 107788106
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline (CID 79604739) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline is CCn1c(C)cc(CNc2cc(C)ccc2OC)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is VHAXXZOQVFPBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-19-13(3)10-15(14(19)4)11-18-16-9-12(2)7-8-17(16)20-5/h7-10,18H,6,11H2,1-5H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 272.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 79604739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).