N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine

C13H21NO2 — CID 51086801

IUPACN-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCCN(CCOC)Cc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-14(9-10-15-2)11-12-5-7-13(16-3)8-6-12/h5-8H,4,9-11H2,1-3H3
InChIKeyDSQWWUBIZRCSPP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds7

About N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine

N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 51086801) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID51086801
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCCN(CCOC)Cc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-14(9-10-15-2)11-12-5-7-13(16-3)8-6-12/h5-8H,4,9-11H2,1-3H3
InChIKeyDSQWWUBIZRCSPP-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 55133810
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
2-[(4-methoxyphenyl)methyl-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
CID 86656093
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
CID 107694004
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine (CID 51086801) is N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine is CCN(CCOC)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is DSQWWUBIZRCSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14(9-10-15-2)11-12-5-7-13(16-3)8-6-12/h5-8H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine?
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 51086801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).