2-(2,6-dichlorophenyl)-1-nitrosoethanamine

C8H8Cl2N2O — CID 165356359

IUPAC2-(2,6-dichlorophenyl)-1-nitrosoethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)N=O
InChIInChI=1S/C8H8Cl2N2O/c9-6-2-1-3-7(10)5(6)4-8(11)12-13/h1-3,8H,4,11H2
InChIKeyVTBPACDZYRRIJX-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.59
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-nitrosoethanamine

2-(2,6-dichlorophenyl)-1-nitrosoethanamine (PubChem CID 165356359) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-nitrosoethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-nitrosoethanamine
PubChem CID165356359
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2-(2,6-dichlorophenyl)-1-nitrosoethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)N=O
InChIInChI=1S/C8H8Cl2N2O/c9-6-2-1-3-7(10)5(6)4-8(11)12-13/h1-3,8H,4,11H2
InChIKeyVTBPACDZYRRIJX-UHFFFAOYSA-N
XLogP2.59
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichlorophenethylamine
CID 142938
2-(2-Chlorophenyl)ethylamine
CID 83117
2,6-Dichlorophenethylamine
CID 2734101
2-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 2734094
2-Chloroamphetamine hydrochloride
CID 20027460
2-Chloroamphetamine
CID 152331
3-(2-Chlorophenyl)propan-1-amine
CID 5200411
Guanidine, (2,6-dichlorophenethylamino)-
CID 34472
Guanidine, (3-(2,6-dichlorophenyl)propyl)amino-
CID 34473
1-(2,4-Dichlorophenyl)propan-2-amine--hydrogen chloride (1/1)
CID 3041174
2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine
CID 9650236
1-(2,6-Dichlorophenyl)ethan-1-amine
CID 10910315

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-nitrosoethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-nitrosoethanamine (CID 165356359) is 2-(2,6-dichlorophenyl)-1-nitrosoethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-nitrosoethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-nitrosoethanamine is NC(Cc1c(Cl)cccc1Cl)N=O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-nitrosoethanamine?
The InChIKey is VTBPACDZYRRIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-6-2-1-3-7(10)5(6)4-8(11)12-13/h1-3,8H,4,11H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-nitrosoethanamine?
2-(2,6-dichlorophenyl)-1-nitrosoethanamine has a molecular weight of 219.07 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-nitrosoethanamine is sourced from PubChem (CID 165356359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).