1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine

C15H18F2N2 — CID 114930925

IUPAC1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2c(F)cccc2F)c1
InChIInChI=1S/C15H18F2N2/c1-2-4-15(18)11-7-8-19(9-11)10-12-13(16)5-3-6-14(12)17/h3,5-9,15H,2,4,10,18H2,1H3
InChIKeyLFQCMVQHJQWTAK-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.61
Rot. Bonds5

About 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine

1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 114930925) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID114930925
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2c(F)cccc2F)c1
InChIInChI=1S/C15H18F2N2/c1-2-4-15(18)11-7-8-19(9-11)10-12-13(16)5-3-6-14(12)17/h3,5-9,15H,2,4,10,18H2,1H3
InChIKeyLFQCMVQHJQWTAK-UHFFFAOYSA-N
XLogP3.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-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

1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108236
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109903
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108923
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 107307293
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108042
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104946
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108390
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109513
3-[3-(1-aminobutyl)pyrrol-1-yl]propane-1,2-diol
CID 82851108
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79107942
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 104801337

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine (CID 114930925) is 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(Cc2c(F)cccc2F)c1.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is LFQCMVQHJQWTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-2-4-15(18)11-7-8-19(9-11)10-12-13(16)5-3-6-14(12)17/h3,5-9,15H,2,4,10,18H2,1H3.
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 114930925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).