[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride

C10H21ClFN3 — CID 130608430

IUPAC[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@@H](F)CN1CC1CCNC1
InChIInChI=1S/C10H20FN3.ClH/c11-9-3-10(4-12)14(7-9)6-8-1-2-13-5-8;/h8-10,13H,1-7,12H2;1H/t8?,9-,10+;/m1./s1
InChIKeyMTMQVHXBSLNLIG-FAPGMENUSA-N
MW237.75 g/mol
LogP0.39
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride

[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 130608430) has the molecular formula C10H21ClFN3 and a molecular weight of 237.75 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID130608430
Molecular FormulaC10H21ClFN3
Molecular Weight237.75 g/mol
Exact Mass237.14
IUPAC Name[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@@H](F)CN1CC1CCNC1
InChIInChI=1S/C10H20FN3.ClH/c11-9-3-10(4-12)14(7-9)6-8-1-2-13-5-8;/h8-10,13H,1-7,12H2;1H/t8?,9-,10+;/m1./s1
InChIKeyMTMQVHXBSLNLIG-FAPGMENUSA-N
XLogP0.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine
CID 130736370
[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 131067547
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
5-ethyl-2-methyl-4-(pyrrolidin-3-ylmethyl)morpholine
CID 62371779
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
CID 83821345
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120857311
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
6-methyl-1-(pyrrolidin-3-ylmethyl)piperidine-3-carboxamide
CID 62370528
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 130608430) is [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NC[C@@H]1C[C@@H](F)CN1CC1CCNC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is MTMQVHXBSLNLIG-FAPGMENUSA-N. The full InChI is InChI=1S/C10H20FN3.ClH/c11-9-3-10(4-12)14(7-9)6-8-1-2-13-5-8;/h8-10,13H,1-7,12H2;1H/t8?,9-,10+;/m1./s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 237.75 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 130608430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).