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

C9H10Cl3N — CID 115263252

IUPACN-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
SMILESCN(CCl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3N/c1-13(6-10)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6H2,1H3
InChIKeySJAIYMVSGYMITP-UHFFFAOYSA-N
MW238.54 g/mol
LogP3.62
Rot. Bonds3

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

N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 115263252) has the molecular formula C9H10Cl3N and a molecular weight of 238.54 g/mol. Its IUPAC name is N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
PubChem CID115263252
Molecular FormulaC9H10Cl3N
Molecular Weight238.54 g/mol
Exact Mass236.99
IUPAC NameN-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
SMILESCN(CCl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3N/c1-13(6-10)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6H2,1H3
InChIKeySJAIYMVSGYMITP-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine (CID 115263252) is N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine is CN(CCl)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is SJAIYMVSGYMITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3N/c1-13(6-10)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6H2,1H3.
What are the key properties of N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 238.54 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115263252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).