1-[(4-fluorophenyl)methoxy]butan-2-amine

C11H16FNO — CID 22448356

IUPAC1-[(4-fluorophenyl)methoxy]butan-2-amine
SMILESCCC(N)COCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-2-11(13)8-14-7-9-3-5-10(12)6-4-9/h3-6,11H,2,7-8,13H2,1H3
InChIKeyUXSVIVZVTUMMRF-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.08
Rot. Bonds5

About 1-[(4-fluorophenyl)methoxy]butan-2-amine

1-[(4-fluorophenyl)methoxy]butan-2-amine (PubChem CID 22448356) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]butan-2-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]butan-2-amine
PubChem CID22448356
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-[(4-fluorophenyl)methoxy]butan-2-amine
SMILESCCC(N)COCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-2-11(13)8-14-7-9-3-5-10(12)6-4-9/h3-6,11H,2,7-8,13H2,1H3
InChIKeyUXSVIVZVTUMMRF-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]butan-2-amine
CID 97058295
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923
ethyl 4-(2-aminobutoxymethyl)benzoate
CID 82352941
1-[(2,6-difluorophenyl)methoxy]butan-2-amine
CID 102548785
(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine
CID 143293123
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
3-(2-aminobutoxymethyl)aniline
CID 57007296
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
CID 67214176
3-(2-aminobutoxymethyl)benzonitrile
CID 82352991
1-[(E)-(4-fluorophenyl)methylideneamino]oxybutan-2-amine
CID 58684150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]butan-2-amine?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]butan-2-amine (CID 22448356) is 1-[(4-fluorophenyl)methoxy]butan-2-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]butan-2-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]butan-2-amine is CCC(N)COCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]butan-2-amine?
The InChIKey is UXSVIVZVTUMMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-11(13)8-14-7-9-3-5-10(12)6-4-9/h3-6,11H,2,7-8,13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methoxy]butan-2-amine?
1-[(4-fluorophenyl)methoxy]butan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]butan-2-amine is sourced from PubChem (CID 22448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).