4-(4-fluorophenoxy)-N,N,3-trimethylaniline

C15H16FNO — CID 156755640

IUPAC4-(4-fluorophenoxy)-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11-10-13(17(2)3)6-9-15(11)18-14-7-4-12(16)5-8-14/h4-10H,1-3H3
InChIKeyVTCMAEYUBGSWRO-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.99
Rot. Bonds3

About 4-(4-fluorophenoxy)-N,N,3-trimethylaniline

4-(4-fluorophenoxy)-N,N,3-trimethylaniline (PubChem CID 156755640) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N,N,3-trimethylaniline
PubChem CID156755640
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-(4-fluorophenoxy)-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-11-10-13(17(2)3)6-9-15(11)18-14-7-4-12(16)5-8-14/h4-10H,1-3H3
InChIKeyVTCMAEYUBGSWRO-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
CID 156755643
4-[4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]phenoxy]-N,N,3-trimethylaniline
CID 155197872
4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
CID 71329975
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63551446
7-fluoro-N,N-dimethylnaphthalen-2-amine
CID 166120526
N,N,3,4-tetramethylaniline
CID 12595466
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
1-(4-fluorophenoxy)-4-methyl-2-(2-methylphenyl)benzene
CID 142805092

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N,N,3-trimethylaniline?
The IUPAC name of 4-(4-fluorophenoxy)-N,N,3-trimethylaniline (CID 156755640) is 4-(4-fluorophenoxy)-N,N,3-trimethylaniline.
What is the SMILES notation for 4-(4-fluorophenoxy)-N,N,3-trimethylaniline?
The canonical SMILES for 4-(4-fluorophenoxy)-N,N,3-trimethylaniline is Cc1cc(N(C)C)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N,N,3-trimethylaniline?
The InChIKey is VTCMAEYUBGSWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-10-13(17(2)3)6-9-15(11)18-14-7-4-12(16)5-8-14/h4-10H,1-3H3.
What are the key properties of 4-(4-fluorophenoxy)-N,N,3-trimethylaniline?
4-(4-fluorophenoxy)-N,N,3-trimethylaniline has a molecular weight of 245.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N,N,3-trimethylaniline is sourced from PubChem (CID 156755640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).