1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine

C14H16ClFN2 — CID 66397357

IUPAC1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H16ClFN2/c1-10(17)6-11-4-5-18(8-11)9-12-2-3-13(16)7-14(12)15/h2-5,7-8,10H,6,9,17H2,1H3
InChIKeyXRWGULGTWWNCJK-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.22
Rot. Bonds4

About 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine

1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66397357) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
PubChem CID66397357
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H16ClFN2/c1-10(17)6-11-4-5-18(8-11)9-12-2-3-13(16)7-14(12)15/h2-5,7-8,10H,6,9,17H2,1H3
InChIKeyXRWGULGTWWNCJK-UHFFFAOYSA-N
XLogP3.22
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine 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-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66406611
1-[1-[(2-chloro-4-nitrophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66399070
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-3-yl]methanamine
CID 102617081
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 105375157
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108322
1-[(2,4-difluorophenyl)methyl]-3-ethylpyrrole
CID 91455991
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-[1-(2-methylpropyl)pyrrol-3-yl]propan-2-amine
CID 66406296
4-[[3-(2-aminopropyl)pyrrol-1-yl]methyl]benzonitrile
CID 66404684

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine (CID 66397357) is 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(Cc2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is XRWGULGTWWNCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-10(17)6-11-4-5-18(8-11)9-12-2-3-13(16)7-14(12)15/h2-5,7-8,10H,6,9,17H2,1H3.
What are the key properties of 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine?
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 266.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66397357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).