5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

C14H17ClN2O — CID 62132956

IUPAC5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCCOc1ccc(Cl)cc1NCc1cccn1C
InChIInChI=1S/C14H17ClN2O/c1-3-18-14-7-6-11(15)9-13(14)16-10-12-5-4-8-17(12)2/h4-9,16H,3,10H2,1-2H3
InChIKeyWMLGIUHZHXZVBX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 62132956) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID62132956
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCCOc1ccc(Cl)cc1NCc1cccn1C
InChIInChI=1S/C14H17ClN2O/c1-3-18-14-7-6-11(15)9-13(14)16-10-12-5-4-8-17(12)2/h4-9,16H,3,10H2,1-2H3
InChIKeyWMLGIUHZHXZVBX-UHFFFAOYSA-N
XLogP3.69
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28877405
2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877385
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 55039471
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
2-[(5-chloro-2-ethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81419012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 62132956) is 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is CCOc1ccc(Cl)cc1NCc1cccn1C.
What is the InChIKey of 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is WMLGIUHZHXZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-18-14-7-6-11(15)9-13(14)16-10-12-5-4-8-17(12)2/h4-9,16H,3,10H2,1-2H3.
What are the key properties of 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 264.76 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 62132956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).