2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine

C19H25NO2 — CID 171715461

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1ccc(CCc2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-20(2)14-15-22-19-12-8-17(9-13-19)5-4-16-6-10-18(21-3)11-7-16/h6-13H,4-5,14-15H2,1-3H3
InChIKeyUMCLWGNCGNARRQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.42
Rot. Bonds8

About 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine

2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 171715461) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
PubChem CID171715461
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1ccc(CCc2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-20(2)14-15-22-19-12-8-17(9-13-19)5-4-16-6-10-18(21-3)11-7-16/h6-13H,4-5,14-15H2,1-3H3
InChIKeyUMCLWGNCGNARRQ-UHFFFAOYSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
methyl 4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-methoxybenzoate
CID 171661674
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine (CID 171715461) is 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine is COc1ccc(CCc2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is UMCLWGNCGNARRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-20(2)14-15-22-19-12-8-17(9-13-19)5-4-16-6-10-18(21-3)11-7-16/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 171715461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).