N-[2-(dimethylamino)-2-phenylethenoxy]aniline

C16H18N2O — CID 173353183

IUPACN-[2-(dimethylamino)-2-phenylethenoxy]aniline
SMILESCN(C)C(=CONc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(2)16(14-9-5-3-6-10-14)13-19-17-15-11-7-4-8-12-15/h3-13,17H,1-2H3
InChIKeyHDRBACBNSJZXQM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethenoxy]aniline

N-[2-(dimethylamino)-2-phenylethenoxy]aniline (PubChem CID 173353183) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethenoxy]aniline.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethenoxy]aniline
PubChem CID173353183
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[2-(dimethylamino)-2-phenylethenoxy]aniline
SMILESCN(C)C(=CONc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(2)16(14-9-5-3-6-10-14)13-19-17-15-11-7-4-8-12-15/h3-13,17H,1-2H3
InChIKeyHDRBACBNSJZXQM-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
anilino formate;ethane
CID 158049323
benzene;N-methoxyaniline
CID 159505017
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium
CID 102209811
2-[(E)-3-(dimethylamino)-3-phenylprop-2-enylidene]propanedinitrile
CID 99722803
N-(2-fluoroethenoxy)aniline
CID 88519173
(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
CID 13495526
4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591
(E)-1-methoxy-N,N-dimethyl-2-phenylbut-1-en-1-amine
CID 134987822
acetic acid;N-methoxyaniline
CID 174899473

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethenoxy]aniline?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethenoxy]aniline (CID 173353183) is N-[2-(dimethylamino)-2-phenylethenoxy]aniline.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethenoxy]aniline?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethenoxy]aniline is CN(C)C(=CONc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethenoxy]aniline?
The InChIKey is HDRBACBNSJZXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)16(14-9-5-3-6-10-14)13-19-17-15-11-7-4-8-12-15/h3-13,17H,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-phenylethenoxy]aniline?
N-[2-(dimethylamino)-2-phenylethenoxy]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethenoxy]aniline is sourced from PubChem (CID 173353183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).