2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

C15H17ClN2O — CID 79589158

IUPAC2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-18(2)13-6-7-14(17)15(9-13)19-10-11-4-3-5-12(16)8-11/h3-9H,10,17H2,1-2H3
InChIKeyYXQCOOVVUOQXOQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.57
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79589158) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79589158
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-18(2)13-6-7-14(17)15(9-13)19-10-11-4-3-5-12(16)8-11/h3-9H,10,17H2,1-2H3
InChIKeyYXQCOOVVUOQXOQ-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.57
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-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588486
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
2-[[2-amino-5-(dimethylamino)phenoxy]methyl]benzonitrile
CID 79589430
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79589158) is 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)c(OCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is YXQCOOVVUOQXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(2)13-6-7-14(17)15(9-13)19-10-11-4-3-5-12(16)8-11/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79589158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).