N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine

C8H10ClN3 — CID 23605

IUPACN-[(4-chlorophenyl)diazenyl]-N-methylmethanamine
SMILESCN(C)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3/b11-10+
InChIKeyJZGUQAMYFQKVSO-ZHACJKMWSA-N
MW183.64 g/mol
LogP2.90
Rot. Bonds2

About N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine

N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine (PubChem CID 23605) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)diazenyl]-N-methylmethanamine
PubChem CID23605
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC NameN-[(4-chlorophenyl)diazenyl]-N-methylmethanamine
SMILESCN(C)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3/b11-10+
InChIKeyJZGUQAMYFQKVSO-ZHACJKMWSA-N
XLogP2.90
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloroaniline
CID 7812
4,4'-Dichloroazobenzene
CID 15340
4,4'-Dichloroazoxybenzene
CID 11960
(4-Chlorophenyl)biguanide
CID 19933
4-(Para-chlorophenylazo)-N,N-dimethylaniline
CID 17226
N-(4-Chlorophenyl)guanidine
CID 2757788
4-Chlorophenyl isothiocyanate
CID 16480
1-Phenyl-3,3-dimethyltriazene
CID 23654
4-Chloro-N,N-dimethylaniline
CID 136530
FORMAMIDINE, N'-(p-CHLOROPHENYL)-N,N-DIMETHYL-
CID 16419
N,N-Dimethyl-3-chloroaniline
CID 23285
((p-Chlorophenyl)azo)malononitrile
CID 13435

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine?
The IUPAC name of N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine (CID 23605) is N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine?
The canonical SMILES for N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine is CN(C)/N=N/c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine?
The InChIKey is JZGUQAMYFQKVSO-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3/b11-10+.
What are the key properties of N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine?
N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine has a molecular weight of 183.64 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)diazenyl]-N-methylmethanamine is sourced from PubChem (CID 23605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).