3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline

C12H12ClFN2 — CID 28877935

IUPAC3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1cccc(Cl)c1F
InChIInChI=1S/C12H12ClFN2/c1-16-7-3-4-9(16)8-15-11-6-2-5-10(13)12(11)14/h2-7,15H,8H2,1H3
InChIKeyIGWBSWRPUYAKCF-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.43
Rot. Bonds3

About 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline

3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 28877935) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID28877935
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1cccc(Cl)c1F
InChIInChI=1S/C12H12ClFN2/c1-16-7-3-4-9(16)8-15-11-6-2-5-10(13)12(11)14/h2-7,15H,8H2,1H3
InChIKeyIGWBSWRPUYAKCF-UHFFFAOYSA-N
XLogP3.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]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

3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62131334
3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474567
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
3-chloro-2-fluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408927
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28877405
6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
CID 115663458
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
3-chloro-2-fluoro-N-(pyridin-4-ylmethyl)aniline
CID 28879747
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 28877935) is 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is Cn1cccc1CNc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is IGWBSWRPUYAKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-16-7-3-4-9(16)8-15-11-6-2-5-10(13)12(11)14/h2-7,15H,8H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 238.69 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 28877935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).