[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

C12H17FN2 — CID 124675425

IUPAC[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1C[C@H](CN)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H17FN2/c1-15-7-10(6-14)12(8-15)9-2-4-11(13)5-3-9/h2-5,10,12H,6-8,14H2,1H3/t10-,12+/m0/s1
InChIKeyVFJQQDKNVMXPLG-CMPLNLGQSA-N
MW208.28 g/mol
LogP1.43
Rot. Bonds2

About [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 124675425) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID124675425
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1C[C@H](CN)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H17FN2/c1-15-7-10(6-14)12(8-15)9-2-4-11(13)5-3-9/h2-5,10,12H,6-8,14H2,1H3/t10-,12+/m0/s1
InChIKeyVFJQQDKNVMXPLG-CMPLNLGQSA-N
XLogP1.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-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

2-[(3S,4R)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]acetaldehyde
CID 54322147
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 120742433
[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462010
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117
[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 96744208
[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 124675472
[4-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 82611721
ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
CID 171400750
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 124675425) is [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1C[C@H](CN)[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VFJQQDKNVMXPLG-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-7-10(6-14)12(8-15)9-2-4-11(13)5-3-9/h2-5,10,12H,6-8,14H2,1H3/t10-,12+/m0/s1.
What are the key properties of [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 124675425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).