4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine

C15H24FNO — CID 80699637

IUPAC4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccc(OCCF)cc1
InChIInChI=1S/C15H24FNO/c1-3-11-17-13(2)4-5-14-6-8-15(9-7-14)18-12-10-16/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyWWTVPWDVLILLFI-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.36
Rot. Bonds9

About 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine

4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine (PubChem CID 80699637) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
PubChem CID80699637
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccc(OCCF)cc1
InChIInChI=1S/C15H24FNO/c1-3-11-17-13(2)4-5-14-6-8-15(9-7-14)18-12-10-16/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyWWTVPWDVLILLFI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
CID 60881953
4-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-propylbutan-2-amine
CID 106436815
4-(4-but-3-en-2-yloxyphenyl)-N-propylbutan-2-amine
CID 62389850
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
CID 107710142
methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
CID 60881948
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
CID 63892865

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine?
The IUPAC name of 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine (CID 80699637) is 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine.
What is the SMILES notation for 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine?
The canonical SMILES for 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine is CCCNC(C)CCc1ccc(OCCF)cc1.
What is the InChIKey of 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine?
The InChIKey is WWTVPWDVLILLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-11-17-13(2)4-5-14-6-8-15(9-7-14)18-12-10-16/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine?
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine is sourced from PubChem (CID 80699637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).