1-(4-fluorophenoxy)-4-methoxybutan-2-amine

C11H16FNO2 — CID 117236773

IUPAC1-(4-fluorophenoxy)-4-methoxybutan-2-amine
SMILESCOCCC(N)COc1ccc(F)cc1
InChIInChI=1S/C11H16FNO2/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5,10H,6-8,13H2,1H3
InChIKeyLCSYPEPDMFCKFE-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.57
Rot. Bonds6

About 1-(4-fluorophenoxy)-4-methoxybutan-2-amine

1-(4-fluorophenoxy)-4-methoxybutan-2-amine (PubChem CID 117236773) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-4-methoxybutan-2-amine
PubChem CID117236773
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(4-fluorophenoxy)-4-methoxybutan-2-amine
SMILESCOCCC(N)COc1ccc(F)cc1
InChIInChI=1S/C11H16FNO2/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5,10H,6-8,13H2,1H3
InChIKeyLCSYPEPDMFCKFE-UHFFFAOYSA-N
XLogP1.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
4-methoxy-1-pyridin-3-yloxybutan-2-amine
CID 117236788
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
CID 164877264
CID 164877264
1-methoxy-3-(4-phenoxyphenoxy)propan-2-amine
CID 107506606
4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
CID 62319637
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-4-methoxybutan-2-amine?
The IUPAC name of 1-(4-fluorophenoxy)-4-methoxybutan-2-amine (CID 117236773) is 1-(4-fluorophenoxy)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenoxy)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(4-fluorophenoxy)-4-methoxybutan-2-amine is COCCC(N)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-4-methoxybutan-2-amine?
The InChIKey is LCSYPEPDMFCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5,10H,6-8,13H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-4-methoxybutan-2-amine?
1-(4-fluorophenoxy)-4-methoxybutan-2-amine has a molecular weight of 213.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-4-methoxybutan-2-amine is sourced from PubChem (CID 117236773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).