N,2-diethoxy-N-phenylaniline

C16H19NO2 — CID 89287554

IUPACN,2-diethoxy-N-phenylaniline
SMILESCCOc1ccccc1N(OCC)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-3-18-16-13-9-8-12-15(16)17(19-4-2)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyALMCMUKXZRBABV-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.17
Rot. Bonds6

About N,2-diethoxy-N-phenylaniline

N,2-diethoxy-N-phenylaniline (PubChem CID 89287554) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N,2-diethoxy-N-phenylaniline.

Molecular Properties

Compound NameN,2-diethoxy-N-phenylaniline
PubChem CID89287554
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN,2-diethoxy-N-phenylaniline
SMILESCCOc1ccccc1N(OCC)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-3-18-16-13-9-8-12-15(16)17(19-4-2)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyALMCMUKXZRBABV-UHFFFAOYSA-N
XLogP4.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-ethyl-N-phenylaniline
CID 101288968
2-butoxy-N,N-diphenylaniline
CID 154486534
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
4-(2-ethoxy-N-methylanilino)cyclohexan-1-one
CID 117029692
2,5-diethoxy-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123820385
2,3-diethoxy-N,N-dimethylaniline
CID 150665262
N-[2-chloro-2-(2-ethoxyphenyl)ethyl]-N-methylaniline
CID 82215171
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(2-ethoxyphenyl)phosphane
CID 19813759

Frequently Asked Questions

What is the IUPAC name of N,2-diethoxy-N-phenylaniline?
The IUPAC name of N,2-diethoxy-N-phenylaniline (CID 89287554) is N,2-diethoxy-N-phenylaniline.
What is the SMILES notation for N,2-diethoxy-N-phenylaniline?
The canonical SMILES for N,2-diethoxy-N-phenylaniline is CCOc1ccccc1N(OCC)c1ccccc1.
What is the InChIKey of N,2-diethoxy-N-phenylaniline?
The InChIKey is ALMCMUKXZRBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-18-16-13-9-8-12-15(16)17(19-4-2)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of N,2-diethoxy-N-phenylaniline?
N,2-diethoxy-N-phenylaniline has a molecular weight of 257.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethoxy-N-phenylaniline is sourced from PubChem (CID 89287554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).