[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine

C9H17FN2 — CID 130736370

IUPAC[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1CC1CC1
InChIInChI=1S/C9H17FN2/c10-8-3-9(4-11)12(6-8)5-7-1-2-7/h7-9H,1-6,11H2/t8-,9-/m0/s1
InChIKeyWGWOFHUMJMWTAH-IUCAKERBSA-N
MW172.25 g/mol
LogP0.77
Rot. Bonds3

About [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine

[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine (PubChem CID 130736370) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine
PubChem CID130736370
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1CC1CC1
InChIInChI=1S/C9H17FN2/c10-8-3-9(4-11)12(6-8)5-7-1-2-7/h7-9H,1-6,11H2/t8-,9-/m0/s1
InChIKeyWGWOFHUMJMWTAH-IUCAKERBSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 131067547
[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 130608430
[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
[(2S,4S)-4-fluoro-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 130608585
1-(cyclopropylmethyl)-3-fluoroazetidine
CID 131037044
[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 130621724
1-[(4-fluorocyclohexyl)methyl]-5-methylpiperidin-2-amine
CID 163138869
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972119
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine (CID 130736370) is [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@H](F)CN1CC1CC1.
What is the InChIKey of [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine?
The InChIKey is WGWOFHUMJMWTAH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17FN2/c10-8-3-9(4-11)12(6-8)5-7-1-2-7/h7-9H,1-6,11H2/t8-,9-/m0/s1.
What are the key properties of [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine?
[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine has a molecular weight of 172.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine is sourced from PubChem (CID 130736370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).