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

C10H13Cl2NO — CID 115258760

IUPAC1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
SMILESCOCN(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13(7-14-2)6-8-3-4-9(11)5-10(8)12/h3-5H,6-7H2,1-2H3
InChIKeyUCHKVALGUBZDMA-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.03
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine (PubChem CID 115258760) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
PubChem CID115258760
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
SMILESCOCN(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13(7-14-2)6-8-3-4-9(11)5-10(8)12/h3-5H,6-7H2,1-2H3
InChIKeyUCHKVALGUBZDMA-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
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

N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
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-propylpropan-1-amine
CID 117059460
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91842512
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine (CID 115258760) is 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine is COCN(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine?
The InChIKey is UCHKVALGUBZDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13(7-14-2)6-8-3-4-9(11)5-10(8)12/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine?
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine has a molecular weight of 234.13 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine is sourced from PubChem (CID 115258760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).