N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine

C11H15Cl2N3O2 — CID 133485160

IUPACN'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H15Cl2N3O2/c1-14(2)4-5-15(3)11-9(12)6-8(16(17)18)7-10(11)13/h6-7H,4-5H2,1-3H3
InChIKeyAFHATFQDJQXELQ-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.90
Rot. Bonds5

About N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 133485160) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID133485160
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC NameN'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H15Cl2N3O2/c1-14(2)4-5-15(3)11-9(12)6-8(16(17)18)7-10(11)13/h6-7H,4-5H2,1-3H3
InChIKeyAFHATFQDJQXELQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dichloro-N-methyl-4-nitroanilino)ethyl]pyrrolidin-2-one
CID 133454805
3-chloro-2-[methyl(pentyl)amino]-5-nitrobenzoic acid
CID 107190054
N-(2-chloro-4-nitrophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 23506828
3-chloro-2-[3-(dimethylamino)propoxy]-5-nitrobenzoic acid
CID 107186828
N'-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 3019926
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80845787
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
N-[2-(aminomethyl)cyclopentyl]-2,6-dichloro-N-methyl-4-nitroaniline
CID 106891824
methyl 3-(2,6-dichloro-N-ethyl-4-nitroanilino)propanoate
CID 106891970
N'-(2,6-dichloro-4-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 106891844
2-chloro-N-cyclohexyl-6-ethyl-N-methyl-4-nitroaniline
CID 91681162
2-chloro-3,5-dinitropyridine;N'-(3,5-dinitro-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine
CID 159484828

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine (CID 133485160) is N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is AFHATFQDJQXELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-14(2)4-5-15(3)11-9(12)6-8(16(17)18)7-10(11)13/h6-7H,4-5H2,1-3H3.
What are the key properties of N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 292.17 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichloro-4-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 133485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).