[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine

C12H17FN2O — CID 163995029

IUPAC[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine
SMILESNCOC[C@H]1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)15-6-5-10(7-15)8-16-9-14/h1-4,10H,5-9,14H2/t10-/m0/s1
InChIKeyUDYFCVLPXSRVGL-JTQLQIEISA-N
MW224.28 g/mol
LogP1.58
Rot. Bonds4

About [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine

[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine (PubChem CID 163995029) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine.

Molecular Properties

Compound Name[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine
PubChem CID163995029
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine
SMILESNCOC[C@H]1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)15-6-5-10(7-15)8-16-9-14/h1-4,10H,5-9,14H2/t10-/m0/s1
InChIKeyUDYFCVLPXSRVGL-JTQLQIEISA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine 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-Phenylpyrrolidin-3-yl)methanol
CID 17999087
[1-(3-Fluorophenyl)-3-pyrrolidinyl]methanamine
CID 24275319
(1-(4-Fluorophenyl)pyrrolidin-3-yl)methanamine
CID 24275299
(1-(2,4-Difluorophenyl)pyrrolidin-3-yl)methanamine
CID 24275322
[1-(3,4-Difluorophenyl)pyrrolidin-3-yl]methanamine
CID 24275332
4-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 43194688
N-(tetrahydrofuran-3-ylmethyl)aniline
CID 43190029
alpha-Anilinotetrahydrofuran
CID 123811944
1-(4-Fluorophenyl)-4-(tetrahydro-3-furanylmethyl)-1,4-diazepane
CID 56907793
1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine
CID 97327924
1-[1-(2-Fluorophenyl)-3-pyrrolidinyl]methanamine
CID 24275298
[1-(2-Fluorophenyl)pyrrolidin-3-yl]methanol
CID 24275472

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine?
The IUPAC name of [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine (CID 163995029) is [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine.
What is the SMILES notation for [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine?
The canonical SMILES for [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine is NCOC[C@H]1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine?
The InChIKey is UDYFCVLPXSRVGL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)15-6-5-10(7-15)8-16-9-14/h1-4,10H,5-9,14H2/t10-/m0/s1.
What are the key properties of [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine?
[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine has a molecular weight of 224.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine is sourced from PubChem (CID 163995029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).