N-(2,2-diethoxyethyl)-2-ethoxyaniline

C14H23NO3 — CID 81093703

IUPACN-(2,2-diethoxyethyl)-2-ethoxyaniline
SMILESCCOc1ccccc1NCC(OCC)OCC
InChIInChI=1S/C14H23NO3/c1-4-16-13-10-8-7-9-12(13)15-11-14(17-5-2)18-6-3/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyDMEARTXUCLVESB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.90
Rot. Bonds9

About N-(2,2-diethoxyethyl)-2-ethoxyaniline

N-(2,2-diethoxyethyl)-2-ethoxyaniline (PubChem CID 81093703) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-ethoxyaniline.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-ethoxyaniline
PubChem CID81093703
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(2,2-diethoxyethyl)-2-ethoxyaniline
SMILESCCOc1ccccc1NCC(OCC)OCC
InChIInChI=1S/C14H23NO3/c1-4-16-13-10-8-7-9-12(13)15-11-14(17-5-2)18-6-3/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyDMEARTXUCLVESB-UHFFFAOYSA-N
XLogP2.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diethoxyethyl)-2,3-difluoroaniline
CID 81093077
N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
CID 122228815
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898993
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2-ethoxy-N-nonylaniline
CID 43129179
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
3-(2-ethoxyanilino)propanenitrile
CID 7100
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-ethoxyaniline?
The IUPAC name of N-(2,2-diethoxyethyl)-2-ethoxyaniline (CID 81093703) is N-(2,2-diethoxyethyl)-2-ethoxyaniline.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-ethoxyaniline?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-ethoxyaniline is CCOc1ccccc1NCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-ethoxyaniline?
The InChIKey is DMEARTXUCLVESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-16-13-10-8-7-9-12(13)15-11-14(17-5-2)18-6-3/h7-10,14-15H,4-6,11H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-2-ethoxyaniline?
N-(2,2-diethoxyethyl)-2-ethoxyaniline has a molecular weight of 253.34 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-ethoxyaniline is sourced from PubChem (CID 81093703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).