3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C14H16ClFN2 — CID 62474567

IUPAC3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2cccc(Cl)c2F)c(C)n1C
InChIInChI=1S/C14H16ClFN2/c1-9-7-11(10(2)18(9)3)8-17-13-6-4-5-12(15)14(13)16/h4-7,17H,8H2,1-3H3
InChIKeyJGGOCMKZTOJYIT-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62474567) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62474567
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2cccc(Cl)c2F)c(C)n1C
InChIInChI=1S/C14H16ClFN2/c1-9-7-11(10(2)18(9)3)8-17-13-6-4-5-12(15)14(13)16/h4-7,17H,8H2,1-3H3
InChIKeyJGGOCMKZTOJYIT-UHFFFAOYSA-N
XLogP4.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-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

2,3,5-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55118875
4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55080855
2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473668
2-chloro-4,6-difluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 83081475
2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474218
4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877935
2-methyl-3-nitro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62472587
4-chloro-1-N,1-N-dimethyl-2-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,2-diamine
CID 62472778
4-[(2-bromo-3-chloroanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103478607
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62474567) is 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is Cc1cc(CNc2cccc(Cl)c2F)c(C)n1C.
What is the InChIKey of 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is JGGOCMKZTOJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-9-7-11(10(2)18(9)3)8-17-13-6-4-5-12(15)14(13)16/h4-7,17H,8H2,1-3H3.
What are the key properties of 3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 266.75 g/mol, XLogP of 4.05, 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-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62474567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).