4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine

C14H21FN2O — CID 112501088

IUPAC4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine
SMILESNCC(CCOc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C14H21FN2O/c15-12-4-3-5-14(10-12)18-9-6-13(11-16)17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11,16H2
InChIKeyLPPVFOLUEZDUGY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds6

About 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine

4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 112501088) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID112501088
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine
SMILESNCC(CCOc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C14H21FN2O/c15-12-4-3-5-14(10-12)18-9-6-13(11-16)17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11,16H2
InChIKeyLPPVFOLUEZDUGY-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
2-amino-4-(3-fluorophenoxy)butanenitrile
CID 63028827
(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
CID 70052639
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
2-(3-fluorophenoxy)ethanethiol
CID 79002331
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine (CID 112501088) is 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine is NCC(CCOc1cccc(F)c1)N1CCCC1.
What is the InChIKey of 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is LPPVFOLUEZDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-12-4-3-5-14(10-12)18-9-6-13(11-16)17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11,16H2.
What are the key properties of 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine?
4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 112501088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).