N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline

C17H21NO — CID 21484944

IUPACN-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
SMILESCCN(c1cccc(C)c1)C(C)Oc1ccccc1
InChIInChI=1S/C17H21NO/c1-4-18(16-10-8-9-14(2)13-16)15(3)19-17-11-6-5-7-12-17/h5-13,15H,4H2,1-3H3
InChIKeyYAPTWYKTPPUPLI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.25
Rot. Bonds5

About N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline

N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline (PubChem CID 21484944) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
PubChem CID21484944
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
SMILESCCN(c1cccc(C)c1)C(C)Oc1ccccc1
InChIInChI=1S/C17H21NO/c1-4-18(16-10-8-9-14(2)13-16)15(3)19-17-11-6-5-7-12-17/h5-13,15H,4H2,1-3H3
InChIKeyYAPTWYKTPPUPLI-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
CID 70632747
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline
CID 70632882
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
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
N-ethyl-N-[1-(3-methyl-4-methylsulfanylphenoxy)ethyl]aniline
CID 21407430
4-O-[1-(N-ethyl-3-methylanilino)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 70633161
[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate
CID 88815475
2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde
CID 88668500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline?
The IUPAC name of N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline (CID 21484944) is N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline is CCN(c1cccc(C)c1)C(C)Oc1ccccc1.
What is the InChIKey of N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline?
The InChIKey is YAPTWYKTPPUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-18(16-10-8-9-14(2)13-16)15(3)19-17-11-6-5-7-12-17/h5-13,15H,4H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline?
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline is sourced from PubChem (CID 21484944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).