4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline

C14H18N2O — CID 172562099

IUPAC4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline
SMILESCOc1ccc(NCCc2cccn2C)cc1
InChIInChI=1S/C14H18N2O/c1-16-11-3-4-13(16)9-10-15-12-5-7-14(17-2)8-6-12/h3-8,11,15H,9-10H2,1-2H3
InChIKeyGKKOQRSVBZDPGB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.69
Rot. Bonds5

About 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline

4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline (PubChem CID 172562099) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline
PubChem CID172562099
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline
SMILESCOc1ccc(NCCc2cccn2C)cc1
InChIInChI=1S/C14H18N2O/c1-16-11-3-4-13(16)9-10-15-12-5-7-14(17-2)8-6-12/h3-8,11,15H,9-10H2,1-2H3
InChIKeyGKKOQRSVBZDPGB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline 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-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877385
N-[(1-benzylpyrrol-2-yl)methyl]-4-methoxyaniline
CID 171341581
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 55191272

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline?
The IUPAC name of 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline (CID 172562099) is 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline?
The canonical SMILES for 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline is COc1ccc(NCCc2cccn2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline?
The InChIKey is GKKOQRSVBZDPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-11-3-4-13(16)9-10-15-12-5-7-14(17-2)8-6-12/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline?
4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline has a molecular weight of 230.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline is sourced from PubChem (CID 172562099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).