[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

C15H21F2N3 — CID 107932932

IUPAC[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCC(N3CCCC3)C2)c(F)c1F
InChIInChI=1S/C15H21F2N3/c16-14-11(9-18)3-4-13(15(14)17)20-8-5-12(10-20)19-6-1-2-7-19/h3-4,12H,1-2,5-10,18H2
InChIKeyXPRDIABASGMUGU-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.10
Rot. Bonds3

About [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 107932932) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID107932932
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCC(N3CCCC3)C2)c(F)c1F
InChIInChI=1S/C15H21F2N3/c16-14-11(9-18)3-4-13(15(14)17)20-8-5-12(10-20)19-6-1-2-7-19/h3-4,12H,1-2,5-10,18H2
InChIKeyXPRDIABASGMUGU-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine 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

[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 107932981
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 107933095
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129
[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107274914
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
1-[1-[4-(chloromethyl)-2-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 63170307

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (CID 107932932) is [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1ccc(N2CCC(N3CCCC3)C2)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is XPRDIABASGMUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c16-14-11(9-18)3-4-13(15(14)17)20-8-5-12(10-20)19-6-1-2-7-19/h3-4,12H,1-2,5-10,18H2.
What are the key properties of [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 281.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107932932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).