4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine

C14H23NO3 — CID 2181134

IUPAC4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
SMILESCOc1cccc(OC)c1OCCCCN(C)C
InChIInChI=1S/C14H23NO3/c1-15(2)10-5-6-11-18-14-12(16-3)8-7-9-13(14)17-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyULCDVLXHLYGSDF-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds8

About 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine

4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine (PubChem CID 2181134) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
PubChem CID2181134
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
SMILESCOc1cccc(OC)c1OCCCCN(C)C
InChIInChI=1S/C14H23NO3/c1-15(2)10-5-6-11-18-14-12(16-3)8-7-9-13(14)17-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyULCDVLXHLYGSDF-UHFFFAOYSA-N
XLogP2.42
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
2-[3-(dimethylamino)propoxy]-3-methoxybenzonitrile
CID 20992354
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium
CID 2262417
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038496
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine (CID 2181134) is 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine is COc1cccc(OC)c1OCCCCN(C)C.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine?
The InChIKey is ULCDVLXHLYGSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15(2)10-5-6-11-18-14-12(16-3)8-7-9-13(14)17-4/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine?
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 2181134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).