10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine

C28H41F2NO — CID 21281290

IUPAC10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine
SMILESCCCN(CCC)CCCCCCCCCCOc1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C28H41F2NO/c1-3-16-31(17-4-2)18-11-9-7-5-6-8-10-12-19-32-28-15-13-14-24(22-28)25-20-26(29)23-27(30)21-25/h13-15,20-23H,3-12,16-19H2,1-2H3
InChIKeyRWFXFDUKHWXVLK-UHFFFAOYSA-N
MW445.64 g/mol
LogP8.25
Rot. Bonds17

About 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine

10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine (PubChem CID 21281290) has the molecular formula C28H41F2NO and a molecular weight of 445.64 g/mol. Its IUPAC name is 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine.

Molecular Properties

Compound Name10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine
PubChem CID21281290
Molecular FormulaC28H41F2NO
Molecular Weight445.64 g/mol
Exact Mass445.32
IUPAC Name10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine
SMILESCCCN(CCC)CCCCCCCCCCOc1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C28H41F2NO/c1-3-16-31(17-4-2)18-11-9-7-5-6-8-10-12-19-32-28-15-13-14-24(22-28)25-20-26(29)23-27(30)21-25/h13-15,20-23H,3-12,16-19H2,1-2H3
InChIKeyRWFXFDUKHWXVLK-UHFFFAOYSA-N
XLogP8.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.64
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
CID 22012920
N-(3-hexoxyphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54809503
4-(3-octadecoxyphenyl)phenol
CID 91091323
1,3-dihexadecoxybenzene
CID 12686834
N-heptyl-N-[4-[[3-[3-[4-[heptyl(octyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]octan-1-amine
CID 139955843
1-oxido-4-(3-undecoxyphenyl)pyridin-1-ium
CID 156692937
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
CID 55026914
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine?
The IUPAC name of 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine (CID 21281290) is 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine.
What is the SMILES notation for 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine?
The canonical SMILES for 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine is CCCN(CCC)CCCCCCCCCCOc1cccc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine?
The InChIKey is RWFXFDUKHWXVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41F2NO/c1-3-16-31(17-4-2)18-11-9-7-5-6-8-10-12-19-32-28-15-13-14-24(22-28)25-20-26(29)23-27(30)21-25/h13-15,20-23H,3-12,16-19H2,1-2H3.
What are the key properties of 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine?
10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine has a molecular weight of 445.64 g/mol, XLogP of 8.25, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3,5-difluorophenyl)phenoxy]-N,N-dipropyldecan-1-amine is sourced from PubChem (CID 21281290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).