2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde

C18H21NO2 — CID 88668500

IUPAC2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde
SMILESCCN(c1cccc(C)c1)C(C=O)OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-19(17-11-7-8-15(2)12-17)18(13-20)21-14-16-9-5-4-6-10-16/h4-13,18H,3,14H2,1-2H3
InChIKeyHTAXTKYFMUPCLY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.56
Rot. Bonds7

About 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde

2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde (PubChem CID 88668500) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde
PubChem CID88668500
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde
SMILESCCN(c1cccc(C)c1)C(C=O)OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-19(17-11-7-8-15(2)12-17)18(13-20)21-14-16-9-5-4-6-10-16/h4-13,18H,3,14H2,1-2H3
InChIKeyHTAXTKYFMUPCLY-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide
CID 88724802
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
(N-ethyl-3-methylanilino)-phenylmethanesulfonic acid
CID 54298056
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid
CID 84751400
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
N,N-diethyl-1-phenylmethoxyethanamine
CID 22369442

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde (CID 88668500) is 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde is CCN(c1cccc(C)c1)C(C=O)OCc1ccccc1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde?
The InChIKey is HTAXTKYFMUPCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19(17-11-7-8-15(2)12-17)18(13-20)21-14-16-9-5-4-6-10-16/h4-13,18H,3,14H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde?
2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde has a molecular weight of 283.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-2-phenylmethoxyacetaldehyde is sourced from PubChem (CID 88668500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).