1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine

C13H14ClFN2 — CID 102856756

IUPAC1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2/c1-9(16)12-6-3-7-17(12)8-10-4-2-5-11(14)13(10)15/h2-7,9H,8,16H2,1H3
InChIKeyDRMUENAAMPCJJG-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.35
Rot. Bonds3

About 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine

1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 102856756) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID102856756
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2/c1-9(16)12-6-3-7-17(12)8-10-4-2-5-11(14)13(10)15/h2-7,9H,8,16H2,1H3
InChIKeyDRMUENAAMPCJJG-UHFFFAOYSA-N
XLogP3.35
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine 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-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101628
[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
CID 113365936
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151609
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102220
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole
CID 167943979
2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 82805348
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine (CID 102856756) is 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine is CC(N)c1cccn1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is DRMUENAAMPCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-9(16)12-6-3-7-17(12)8-10-4-2-5-11(14)13(10)15/h2-7,9H,8,16H2,1H3.
What are the key properties of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 252.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 102856756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).