1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine

C11H15Cl2NO2 — CID 65369787

IUPAC1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
SMILESCCOCOc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C11H15Cl2NO2/c1-3-15-7-16-11-8(6-14-2)4-9(12)5-10(11)13/h4-5,14H,3,6-7H2,1-2H3
InChIKeyZKLNMNOLTFBFSA-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.09
Rot. Bonds6

About 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine

1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine (PubChem CID 65369787) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
PubChem CID65369787
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
SMILESCCOCOc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C11H15Cl2NO2/c1-3-15-7-16-11-8(6-14-2)4-9(12)5-10(11)13/h4-5,14H,3,6-7H2,1-2H3
InChIKeyZKLNMNOLTFBFSA-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369623
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43515683
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
1-[3,5-dichloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63500645
3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 54879135
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]adamantan-1-amine
CID 4722272
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine (CID 65369787) is 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine is CCOCOc1c(Cl)cc(Cl)cc1CNC.
What is the InChIKey of 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine?
The InChIKey is ZKLNMNOLTFBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-3-15-7-16-11-8(6-14-2)4-9(12)5-10(11)13/h4-5,14H,3,6-7H2,1-2H3.
What are the key properties of 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine?
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine has a molecular weight of 264.15 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 65369787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).