(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine

C11H14F2N2 — CID 24904864

IUPAC(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C11H14F2N2/c12-9-2-1-8(11(13)5-9)6-15-4-3-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2/t10-/m1/s1
InChIKeyRPHPEOHGOGNQHH-SNVBAGLBSA-N
MW212.24 g/mol
LogP1.50
Rot. Bonds2

About (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine

(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 24904864) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID24904864
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C11H14F2N2/c12-9-2-1-8(11(13)5-9)6-15-4-3-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2/t10-/m1/s1
InChIKeyRPHPEOHGOGNQHH-SNVBAGLBSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
(3S)-1-[(2-fluoro-4-nitrophenyl)methyl]pyrrolidin-3-amine
CID 119933867
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
N-[[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513970
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine (CID 24904864) is (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is RPHPEOHGOGNQHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-9-2-1-8(11(13)5-9)6-15-4-3-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 212.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 24904864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).