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

C11H16ClNO — CID 115258974

IUPAC2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-13(9-14-2)8-7-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyRGGKAPJSFLZVAR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds5

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

2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115258974) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115258974
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-13(9-14-2)8-7-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyRGGKAPJSFLZVAR-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
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

4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
CID 91622025
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
2-(4-chlorophenyl)-N,N-dimethoxyethanamine
CID 142794565
2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258991
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259026
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-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115258974) is 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine is COCN(C)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is RGGKAPJSFLZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-13(9-14-2)8-7-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115258974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).