1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine

C14H22FNO — CID 63935309

IUPAC1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
SMILESCCCNC(CC)COCc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-9-16-13(4-2)11-17-10-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyYAUWLIZPUGPVSD-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.12
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine

1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine (PubChem CID 63935309) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
PubChem CID63935309
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
SMILESCCCNC(CC)COCc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-9-16-13(4-2)11-17-10-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyYAUWLIZPUGPVSD-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
CID 63937396
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
1-[2-(bromomethyl)butoxymethyl]-2-fluorobenzene
CID 65000075
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine (CID 63935309) is 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine is CCCNC(CC)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine?
The InChIKey is YAUWLIZPUGPVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-9-16-13(4-2)11-17-10-12-7-5-6-8-14(12)15/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine?
1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine is sourced from PubChem (CID 63935309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).