4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine

C15H19FN2O — CID 112516962

IUPAC4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine
SMILESCn1cccc1C(CCN)COc1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-18-9-3-6-15(18)12(7-8-17)11-19-14-5-2-4-13(16)10-14/h2-6,9-10,12H,7-8,11,17H2,1H3
InChIKeyKMIYJYBMZHZAAP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.68
Rot. Bonds6

About 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine

4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine (PubChem CID 112516962) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine
PubChem CID112516962
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine
SMILESCn1cccc1C(CCN)COc1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-18-9-3-6-15(18)12(7-8-17)11-19-14-5-2-4-13(16)10-14/h2-6,9-10,12H,7-8,11,17H2,1H3
InChIKeyKMIYJYBMZHZAAP-UHFFFAOYSA-N
XLogP2.68
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine?
The IUPAC name of 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine (CID 112516962) is 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine?
The canonical SMILES for 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine is Cn1cccc1C(CCN)COc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine?
The InChIKey is KMIYJYBMZHZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18-9-3-6-15(18)12(7-8-17)11-19-14-5-2-4-13(16)10-14/h2-6,9-10,12H,7-8,11,17H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine?
4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine is sourced from PubChem (CID 112516962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).