N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine

C11H15Cl2NO — CID 115259497

IUPACN-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-4-14(2)7-8-5-6-9(15-3)11(13)10(8)12/h5-6H,4,7H2,1-3H3
InChIKeyPFYDZQPIJGQVFF-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.45
Rot. Bonds4

About N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine

N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine (PubChem CID 115259497) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
PubChem CID115259497
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-4-14(2)7-8-5-6-9(15-3)11(13)10(8)12/h5-6H,4,7H2,1-3H3
InChIKeyPFYDZQPIJGQVFF-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227073
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115191205
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
CID 127011573
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 116930931
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
CID 116930825
3-(2,3-dichloro-4-methoxyphenyl)propanenitrile
CID 116927387
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
N-(bromomethyl)-2-(2,3-dichloro-4-methoxyphenyl)ethanamine
CID 115262285
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine (CID 115259497) is N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine is CCN(C)Cc1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is PFYDZQPIJGQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-4-14(2)7-8-5-6-9(15-3)11(13)10(8)12/h5-6H,4,7H2,1-3H3.
What are the key properties of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine?
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 115259497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).