N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine

C10H13Cl2N — CID 115263462

IUPACN-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCN(CCl)CCc1ccc(Cl)cc1
InChIInChI=1S/C10H13Cl2N/c1-13(8-11)7-6-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyMHASUNOPUTVWCY-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.01
Rot. Bonds4

About N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine

N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine (PubChem CID 115263462) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
PubChem CID115263462
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC NameN-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCN(CCl)CCc1ccc(Cl)cc1
InChIInChI=1S/C10H13Cl2N/c1-13(8-11)7-6-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyMHASUNOPUTVWCY-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.01
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

2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
CID 115263477
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
3-[2-(4-chlorophenyl)ethyl-methylamino]propanenitrile
CID 94259030
1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222505
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203453
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
CID 115219153

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine (CID 115263462) is N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine is CN(CCl)CCc1ccc(Cl)cc1.
What is the InChIKey of N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is MHASUNOPUTVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-13(8-11)7-6-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine?
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 218.13 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).