N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline

C18H23NO3 — CID 134547003

IUPACN-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline
SMILESCCN(CCOC)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO3/c1-4-19(13-14-20-2)15-5-7-17(8-6-15)22-18-11-9-16(21-3)10-12-18/h5-12H,4,13-14H2,1-3H3
InChIKeyLCMKAWANOFKYKI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.96
Rot. Bonds8

About N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline

N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline (PubChem CID 134547003) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline
PubChem CID134547003
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline
SMILESCCN(CCOC)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO3/c1-4-19(13-14-20-2)15-5-7-17(8-6-15)22-18-11-9-16(21-3)10-12-18/h5-12H,4,13-14H2,1-3H3
InChIKeyLCMKAWANOFKYKI-UHFFFAOYSA-N
XLogP3.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline (CID 134547003) is N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline is CCN(CCOC)c1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline?
The InChIKey is LCMKAWANOFKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-19(13-14-20-2)15-5-7-17(8-6-15)22-18-11-9-16(21-3)10-12-18/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline?
N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline has a molecular weight of 301.39 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline is sourced from PubChem (CID 134547003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).