N-(2,4-dichlorophenoxy)methanamine

C7H7Cl2NO — CID 174617180

IUPACN-(2,4-dichlorophenoxy)methanamine
SMILESCNOc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-10-11-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyVAGRCACMJHSTON-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.51
Rot. Bonds2

About N-(2,4-dichlorophenoxy)methanamine

N-(2,4-dichlorophenoxy)methanamine (PubChem CID 174617180) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is N-(2,4-dichlorophenoxy)methanamine.

Molecular Properties

Compound NameN-(2,4-dichlorophenoxy)methanamine
PubChem CID174617180
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC NameN-(2,4-dichlorophenoxy)methanamine
SMILESCNOc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-10-11-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyVAGRCACMJHSTON-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-(2,4-dichlorophenoxy)-N,N'-dimethylethanimidamide;hydrochloride
CID 45264353
methylamino 2-(2,4-dichlorophenoxy)propanimidate
CID 144509421
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
4-(2,4-dichlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94693280
N-(2,4-dichlorophenoxy)acetamide;pyrimidine
CID 174543969
(2,4-dichlorophenyl) methanimidate
CID 45091448
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
2,4-dichloro-N-methylaniline
CID 2800935

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenoxy)methanamine?
The IUPAC name of N-(2,4-dichlorophenoxy)methanamine (CID 174617180) is N-(2,4-dichlorophenoxy)methanamine.
What is the SMILES notation for N-(2,4-dichlorophenoxy)methanamine?
The canonical SMILES for N-(2,4-dichlorophenoxy)methanamine is CNOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenoxy)methanamine?
The InChIKey is VAGRCACMJHSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-10-11-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3.
What are the key properties of N-(2,4-dichlorophenoxy)methanamine?
N-(2,4-dichlorophenoxy)methanamine has a molecular weight of 192.05 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenoxy)methanamine is sourced from PubChem (CID 174617180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).