Benzeneethanamine, 2,6-dichloro-I+/--nitroso-

C8H8Cl2N2O — CID 165356359

IUPAC2-(2,6-dichlorophenyl)-1-nitrosoethanamine
SMILESC1=CC(=C(C(=C1)Cl)CC(N)N=O)Cl
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
MW219.06 g/mol
LogP2.00
Rot. Bonds2

About Benzeneethanamine, 2,6-dichloro-I+/--nitroso-

Benzeneethanamine, 2,6-dichloro-I+/--nitroso- (PubChem CID 165356359) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.06 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-nitrosoethanamine.

Molecular Properties

Compound NameBenzeneethanamine, 2,6-dichloro-I+/--nitroso-
PubChem CID165356359
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.06 g/mol
Exact Mass218.00
IUPAC Name2-(2,6-dichlorophenyl)-1-nitrosoethanamine
SMILESC1=CC(=C(C(=C1)Cl)CC(N)N=O)Cl
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
XLogP2.00
TPSA55.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity170

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,6-Dichlorophenethylamine
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2-Chloroamphetamine hydrochloride
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2-Chloroamphetamine
CID 152331
3-(2-Chlorophenyl)propan-1-amine
CID 5200411
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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 Benzeneethanamine, 2,6-dichloro-I+/--nitroso-?
The IUPAC name of Benzeneethanamine, 2,6-dichloro-I+/--nitroso- (CID 165356359) is 2-(2,6-dichlorophenyl)-1-nitrosoethanamine.
What is the SMILES notation for Benzeneethanamine, 2,6-dichloro-I+/--nitroso-?
The canonical SMILES for Benzeneethanamine, 2,6-dichloro-I+/--nitroso- is C1=CC(=C(C(=C1)Cl)CC(N)N=O)Cl.
What is the InChIKey of Benzeneethanamine, 2,6-dichloro-I+/--nitroso-?
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 Benzeneethanamine, 2,6-dichloro-I+/--nitroso-?
Benzeneethanamine, 2,6-dichloro-I+/--nitroso- has a molecular weight of 219.06 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 Benzeneethanamine, 2,6-dichloro-I+/--nitroso- is sourced from PubChem (CID 165356359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).