(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine

C16H25FN2O — CID 11572719

IUPAC(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
SMILESCOC[C@@H]1CCCN1CC[C@H](N)Cc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-20-12-15-6-4-9-19(15)10-8-14(18)11-13-5-2-3-7-16(13)17/h2-3,5,7,14-15H,4,6,8-12,18H2,1H3/t14-,15-/m0/s1
InChIKeyGEKSAYVKYGNFEP-GJZGRUSLSA-N
MW280.39 g/mol
LogP2.20
Rot. Bonds7

About (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine

(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine (PubChem CID 11572719) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
PubChem CID11572719
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
SMILESCOC[C@@H]1CCCN1CC[C@H](N)Cc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-20-12-15-6-4-9-19(15)10-8-14(18)11-13-5-2-3-7-16(13)17/h2-3,5,7,14-15H,4,6,8-12,18H2,1H3/t14-,15-/m0/s1
InChIKeyGEKSAYVKYGNFEP-GJZGRUSLSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine?
The IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine (CID 11572719) is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine is COC[C@@H]1CCCN1CC[C@H](N)Cc1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine?
The InChIKey is GEKSAYVKYGNFEP-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-20-12-15-6-4-9-19(15)10-8-14(18)11-13-5-2-3-7-16(13)17/h2-3,5,7,14-15H,4,6,8-12,18H2,1H3/t14-,15-/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine?
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 11572719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).