[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine

C11H14F2N2 — CID 61076640

IUPAC[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cccc(F)c2F)C1
InChIInChI=1S/C11H14F2N2/c12-9-2-1-3-10(11(9)13)15-5-4-8(6-14)7-15/h1-3,8H,4-7,14H2
InChIKeyTXIYTVOFFRDAKF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds2

About [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine

[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 61076640) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID61076640
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cccc(F)c2F)C1
InChIInChI=1S/C11H14F2N2/c12-9-2-1-3-10(11(9)13)15-5-4-8(6-14)7-15/h1-3,8H,4-7,14H2
InChIKeyTXIYTVOFFRDAKF-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2,3-difluorophenyl)pyrrolidin-3-yl]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

1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79044078
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
CID 79766665
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
2-[3-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzonitrile
CID 62497841
[1-(2,3-dimethyl-1-benzofuran-4-yl)pyrrolidin-3-yl]methanamine
CID 82385556
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine (CID 61076640) is [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2cccc(F)c2F)C1.
What is the InChIKey of [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is TXIYTVOFFRDAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-9-2-1-3-10(11(9)13)15-5-4-8(6-14)7-15/h1-3,8H,4-7,14H2.
What are the key properties of [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine?
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 212.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 61076640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).