1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine

C11H13BrF2N2 — CID 106264844

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C11H13BrF2N2/c12-9-1-2-10(13)8(11(9)14)6-16-4-3-7(15)5-16/h1-2,7H,3-6,15H2
InChIKeyBOGFYWXYRPZPMY-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.26
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine

1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 106264844) has the molecular formula C11H13BrF2N2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID106264844
Molecular FormulaC11H13BrF2N2
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C11H13BrF2N2/c12-9-1-2-10(13)8(11(9)14)6-16-4-3-7(15)5-16/h1-2,7H,3-6,15H2
InChIKeyBOGFYWXYRPZPMY-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-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

(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine
CID 142326312
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 106269061
[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 114166432
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-methylsulfanylpiperidine
CID 114237818
3-[(3-bromo-2,6-difluorophenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 106269097
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
methyl 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 106270380
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-(2-chloroethoxy)piperidine
CID 106272398
ethyl (3S)-1-[(3-bromo-2,6-difluorophenyl)methyl]piperidine-3-carboxylate
CID 106270387
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine (CID 106264844) is 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2c(F)ccc(Br)c2F)C1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is BOGFYWXYRPZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2/c12-9-1-2-10(13)8(11(9)14)6-16-4-3-7(15)5-16/h1-2,7H,3-6,15H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine?
1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 291.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 106264844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).