1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C16H19ClN2O — CID 82096386

IUPAC1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(2)15-7-5-14(6-8-15)18-11-12-20-16-9-3-13(17)4-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeyQEZWANJGZLHXBA-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.90
Rot. Bonds6

About 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 82096386) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID82096386
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(2)15-7-5-14(6-8-15)18-11-12-20-16-9-3-13(17)4-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeyQEZWANJGZLHXBA-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593
4-chloro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55092712
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
1-[2-(4-chlorophenoxy)ethyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 8864141
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
1-N-[2-(4-tert-butylphenoxy)ethyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796289
N-[2-(4-chlorophenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802913
4-butoxy-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline
CID 54799222
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 82096386) is 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is QEZWANJGZLHXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(2)15-7-5-14(6-8-15)18-11-12-20-16-9-3-13(17)4-10-16/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 290.79 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 82096386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).