2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine

C16H19ClN2O3 — CID 66998862

IUPAC2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCOc1cccc(Oc2cc(N(C)C)c(Cl)cc2N)c1OC
InChIInChI=1S/C16H19ClN2O3/c1-19(2)12-9-15(11(18)8-10(12)17)22-14-7-5-6-13(20-3)16(14)21-4/h5-9H,18H2,1-4H3
InChIKeyWPPMPHVXAPWZOH-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 66998862) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID66998862
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCOc1cccc(Oc2cc(N(C)C)c(Cl)cc2N)c1OC
InChIInChI=1S/C16H19ClN2O3/c1-19(2)12-9-15(11(18)8-10(12)17)22-14-7-5-6-13(20-3)16(14)21-4/h5-9H,18H2,1-4H3
InChIKeyWPPMPHVXAPWZOH-UHFFFAOYSA-N
XLogP3.80
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
2-(3,4,5-trimethoxyphenoxy)aniline
CID 11173411
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 66998862) is 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine is COc1cccc(Oc2cc(N(C)C)c(Cl)cc2N)c1OC.
What is the InChIKey of 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is WPPMPHVXAPWZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-19(2)12-9-15(11(18)8-10(12)17)22-14-7-5-6-13(20-3)16(14)21-4/h5-9H,18H2,1-4H3.
What are the key properties of 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 322.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 66998862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).