N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline

C18H23NO2 — CID 70632747

IUPACN-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
SMILESCCN(c1cccc(OC)c1)C(C)Oc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-5-19(16-9-7-10-17(13-16)20-4)15(3)21-18-11-6-8-14(2)12-18/h6-13,15H,5H2,1-4H3
InChIKeyFHJPREGGTXKGHH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.25
Rot. Bonds6

About N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline

N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline (PubChem CID 70632747) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
PubChem CID70632747
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
SMILESCCN(c1cccc(OC)c1)C(C)Oc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-5-19(16-9-7-10-17(13-16)20-4)15(3)21-18-11-6-8-14(2)12-18/h6-13,15H,5H2,1-4H3
InChIKeyFHJPREGGTXKGHH-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate
CID 70632912
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
4-O-[1-(N-ethyl-3-methylanilino)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 70633161
N-[1-(3-bromo-4-methylphenyl)ethyl]-N-ethyl-3-methoxyaniline
CID 118349162
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline?
The IUPAC name of N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline (CID 70632747) is N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline is CCN(c1cccc(OC)c1)C(C)Oc1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline?
The InChIKey is FHJPREGGTXKGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-19(16-9-7-10-17(13-16)20-4)15(3)21-18-11-6-8-14(2)12-18/h6-13,15H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline?
N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 70632747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).