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

C16H19NO2 — CID 156755643

IUPAC4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
SMILESCOc1ccc(Oc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-11-13(17(2)3)5-10-16(12)19-15-8-6-14(18-4)7-9-15/h5-11H,1-4H3
InChIKeyANLCCNKUGSIKQC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.86
Rot. Bonds4

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

4-(4-methoxyphenoxy)-N,N,3-trimethylaniline (PubChem CID 156755643) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
PubChem CID156755643
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
SMILESCOc1ccc(Oc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-11-13(17(2)3)5-10-16(12)19-15-8-6-14(18-4)7-9-15/h5-11H,1-4H3
InChIKeyANLCCNKUGSIKQC-UHFFFAOYSA-N
XLogP3.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)-N,N,3-trimethylaniline
CID 156755640
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
CID 71329975
4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline
CID 54484016
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline
CID 59165138
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
4-[4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]phenoxy]-N,N,3-trimethylaniline
CID 155197872
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
The IUPAC name of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline (CID 156755643) is 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
The canonical SMILES for 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline is COc1ccc(Oc2ccc(N(C)C)cc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
The InChIKey is ANLCCNKUGSIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-11-13(17(2)3)5-10-16(12)19-15-8-6-14(18-4)7-9-15/h5-11H,1-4H3.
What are the key properties of 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline?
4-(4-methoxyphenoxy)-N,N,3-trimethylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N,N,3-trimethylaniline is sourced from PubChem (CID 156755643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).