1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine

C9H11Cl2NO — CID 116961551

IUPAC1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9,12H,1-2H3
InChIKeyJKMCQSMJRSXBON-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine

1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine (PubChem CID 116961551) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
PubChem CID116961551
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9,12H,1-2H3
InChIKeyJKMCQSMJRSXBON-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde
CID 116954245
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
CID 116961483
methyl (2,4-dichlorophenyl)-methoxymethanesulfinate
CID 10858513
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201
1-(2,4-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 61270437
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine (CID 116961551) is 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine is CNC(OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine?
The InChIKey is JKMCQSMJRSXBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9,12H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine?
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine has a molecular weight of 220.10 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine is sourced from PubChem (CID 116961551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).