[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine

C12H17FN2 — CID 42257335

IUPAC[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C12H17FN2/c13-12-4-2-1-3-11(12)9-15-6-5-10(7-14)8-15/h1-4,10H,5-9,14H2/t10-/m0/s1
InChIKeyLPGFHFDNRSIKNH-JTQLQIEISA-N
MW208.28 g/mol
LogP1.61
Rot. Bonds3

About [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine

[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 42257335) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID42257335
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C12H17FN2/c13-12-4-2-1-3-11(12)9-15-6-5-10(7-14)8-15/h1-4,10H,5-9,14H2/t10-/m0/s1
InChIKeyLPGFHFDNRSIKNH-JTQLQIEISA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzene-1,3-diol
CID 62069266
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 55146596

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine (CID 42257335) is [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine is NC[C@@H]1CCN(Cc2ccccc2F)C1.
What is the InChIKey of [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is LPGFHFDNRSIKNH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2/c13-12-4-2-1-3-11(12)9-15-6-5-10(7-14)8-15/h1-4,10H,5-9,14H2/t10-/m0/s1.
What are the key properties of [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 42257335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).