N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline

C15H20N2O2 — CID 66398806

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline
SMILESCCn1ccc(CNc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C15H20N2O2/c1-4-17-6-5-12(11-17)10-16-13-7-14(18-2)9-15(8-13)19-3/h5-9,11,16H,4,10H2,1-3H3
InChIKeyNHOPXNJERLOIAI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds6

About N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline

N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline (PubChem CID 66398806) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline
PubChem CID66398806
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline
SMILESCCn1ccc(CNc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C15H20N2O2/c1-4-17-6-5-12(11-17)10-16-13-7-14(18-2)9-15(8-13)19-3/h5-9,11,16H,4,10H2,1-3H3
InChIKeyNHOPXNJERLOIAI-UHFFFAOYSA-N
XLogP3.14
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-4-propoxyaniline
CID 66413824
2-[4-[(1-ethylpyrrol-3-yl)methylamino]phenoxy]acetonitrile
CID 66399036
3-chloro-4-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]aniline
CID 66413799
N-[(1-ethylpyrrol-3-yl)methyl]-3-methylsulfanylaniline
CID 66399223
1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66399471
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
3-bromo-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416185
N-[(1-ethylpyrrol-3-yl)methyl]-3-fluoro-5-nitroaniline
CID 107334455
4-(difluoromethoxy)-N-[(1-ethylpyrrol-3-yl)methyl]-3-fluoroaniline
CID 66415167
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
CID 82706620

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline (CID 66398806) is N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline is CCn1ccc(CNc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline?
The InChIKey is NHOPXNJERLOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17-6-5-12(11-17)10-16-13-7-14(18-2)9-15(8-13)19-3/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline?
N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline has a molecular weight of 260.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 66398806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).