(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine

C13H17FN2O — CID 141253141

IUPAC(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESC[C@H](C[C@H]1C=C(N)NC1)Oc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-9(6-10-7-13(15)16-8-10)17-12-4-2-11(14)3-5-12/h2-5,7,9-10,16H,6,8,15H2,1H3/t9-,10+/m1/s1
InChIKeyOMHLXKJTVUXWHP-ZJUUUORDSA-N
MW236.29 g/mol
LogP2.00
Rot. Bonds4

About (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141253141) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141253141
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESC[C@H](C[C@H]1C=C(N)NC1)Oc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-9(6-10-7-13(15)16-8-10)17-12-4-2-11(14)3-5-12/h2-5,7,9-10,16H,6,8,15H2,1H3/t9-,10+/m1/s1
InChIKeyOMHLXKJTVUXWHP-ZJUUUORDSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253071
3-[2-(4-fluorophenoxy)propyl]pyrrolidine
CID 105480864
3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol
CID 141253097
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
1-(4-fluorophenoxy)ethanamine
CID 68874100
3-(4-fluorophenoxy)butane-1-sulfonic acid
CID 54260380
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
(4S)-4-[(2S)-2-(4-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45100819
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
4-butan-2-yloxyaniline
CID 13097722

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141253141) is (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine is C[C@H](C[C@H]1C=C(N)NC1)Oc1ccc(F)cc1.
What is the InChIKey of (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is OMHLXKJTVUXWHP-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(6-10-7-13(15)16-8-10)17-12-4-2-11(14)3-5-12/h2-5,7,9-10,16H,6,8,15H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 236.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141253141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).