2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine

C9H13ClN2O — CID 54032840

IUPAC2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCOc1cc(N(C)C)c(Cl)cc1N
InChIInChI=1S/C9H13ClN2O/c1-12(2)8-5-9(13-3)7(11)4-6(8)10/h4-5H,11H2,1-3H3
InChIKeyLGVGNLIRZYERDG-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 54032840) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID54032840
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCOc1cc(N(C)C)c(Cl)cc1N
InChIInChI=1S/C9H13ClN2O/c1-12(2)8-5-9(13-3)7(11)4-6(8)10/h4-5H,11H2,1-3H3
InChIKeyLGVGNLIRZYERDG-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2,3-dimethoxyphenoxy)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 66998862
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
(4-amino-2-chloro-5-methoxyphenyl)methanol
CID 96834541
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-2-methoxyaniline
CID 66511544
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
CID 130542259
6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline
CID 70633784
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine (CID 54032840) is 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine is COc1cc(N(C)C)c(Cl)cc1N.
What is the InChIKey of 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is LGVGNLIRZYERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12(2)8-5-9(13-3)7(11)4-6(8)10/h4-5H,11H2,1-3H3.
What are the key properties of 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 200.67 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 54032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).