chloromethane;N-chloro-4-methylaniline

C8H11Cl2N — CID 174858040

IUPACchloromethane;N-chloro-4-methylaniline
SMILESCCl.Cc1ccc(NCl)cc1
InChIInChI=1S/C7H8ClN.CH3Cl/c1-6-2-4-7(9-8)5-3-6;1-2/h2-5,9H,1H3;1H3
InChIKeyFKVULMKZBHDFIA-UHFFFAOYSA-N
MW192.09 g/mol
LogP3.42
Rot. Bonds1

About chloromethane;N-chloro-4-methylaniline

chloromethane;N-chloro-4-methylaniline (PubChem CID 174858040) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is chloromethane;N-chloro-4-methylaniline.

Molecular Properties

Compound Namechloromethane;N-chloro-4-methylaniline
PubChem CID174858040
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Namechloromethane;N-chloro-4-methylaniline
SMILESCCl.Cc1ccc(NCl)cc1
InChIInChI=1S/C7H8ClN.CH3Cl/c1-6-2-4-7(9-8)5-3-6;1-2/h2-5,9H,1H3;1H3
InChIKeyFKVULMKZBHDFIA-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,2-hexachloroethane;1,4-xylene
CID 174736930
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
N-methylmethanamine;1,4-xylene
CID 66760370
N-(2,2-dimethylpropyl)-4-methylaniline
CID 20674504
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
dichloro(difluoro)methane;1,4-xylene
CID 161479390
CID 136742147
CID 136742147
N-bromo-4-methylaniline;hydrochloride
CID 175327592
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083

Frequently Asked Questions

What is the IUPAC name of chloromethane;N-chloro-4-methylaniline?
The IUPAC name of chloromethane;N-chloro-4-methylaniline (CID 174858040) is chloromethane;N-chloro-4-methylaniline.
What is the SMILES notation for chloromethane;N-chloro-4-methylaniline?
The canonical SMILES for chloromethane;N-chloro-4-methylaniline is CCl.Cc1ccc(NCl)cc1.
What is the InChIKey of chloromethane;N-chloro-4-methylaniline?
The InChIKey is FKVULMKZBHDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.CH3Cl/c1-6-2-4-7(9-8)5-3-6;1-2/h2-5,9H,1H3;1H3.
What are the key properties of chloromethane;N-chloro-4-methylaniline?
chloromethane;N-chloro-4-methylaniline has a molecular weight of 192.09 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N-chloro-4-methylaniline is sourced from PubChem (CID 174858040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).