4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline

C26H22Cl6N4O2 — CID 118162049

IUPAC4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
SMILESCOc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N.Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2.C12H8Cl4N2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16;13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h3-6H,17-18H2,1-2H3;1-4H,17-18H2
InChIKeyDXUOAVJKMHDQSI-UHFFFAOYSA-N
MW635.21 g/mol
LogP8.97
Rot. Bonds4

About 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline

4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline (PubChem CID 118162049) has the molecular formula C26H22Cl6N4O2 and a molecular weight of 635.21 g/mol. Its IUPAC name is 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline.

Molecular Properties

Compound Name4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
PubChem CID118162049
Molecular FormulaC26H22Cl6N4O2
Molecular Weight635.21 g/mol
Exact Mass631.99
IUPAC Name4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
SMILESCOc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N.Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2.C12H8Cl4N2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16;13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h3-6H,17-18H2,1-2H3;1-4H,17-18H2
InChIKeyDXUOAVJKMHDQSI-UHFFFAOYSA-N
XLogP8.97
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.21
LogP ≤ 58.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
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-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
CID 141296455
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
2-chloro-5-ethoxybenzene-1,4-diamine;2,6-dichlorobenzene-1,4-diamine;2-ethoxy-5-methylbenzene-1,4-diamine;2-methoxy-5-methylbenzene-1,4-diamine
CID 160675770
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enal
CID 169459460
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-2-methoxyaniline
CID 66511544

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
The IUPAC name of 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline (CID 118162049) is 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline.
What is the SMILES notation for 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
The canonical SMILES for 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline is COc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N.Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.
What is the InChIKey of 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
The InChIKey is DXUOAVJKMHDQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2.C12H8Cl4N2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16;13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h3-6H,17-18H2,1-2H3;1-4H,17-18H2.
What are the key properties of 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline has a molecular weight of 635.21 g/mol, XLogP of 8.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline is sourced from PubChem (CID 118162049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).