2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine

C10H13Cl2NO — CID 84796736

IUPAC2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-4-3-8-9(11)5-7(14-2)6-10(8)12/h5-6,13H,3-4H2,1-2H3
InChIKeyJRKHNXMEZXYLJP-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.76
Rot. Bonds4

About 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine

2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 84796736) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
PubChem CID84796736
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-4-3-8-9(11)5-7(14-2)6-10(8)12/h5-6,13H,3-4H2,1-2H3
InChIKeyJRKHNXMEZXYLJP-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350377
N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653
2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 117397885
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine (CID 84796736) is 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine is CNCCc1c(Cl)cc(OC)cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JRKHNXMEZXYLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13-4-3-8-9(11)5-7(14-2)6-10(8)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine?
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 84796736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).