2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine

C12H18ClNO3 — CID 117403574

IUPAC2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(OC)cc(OC)c(OC)c1Cl
InChIInChI=1S/C12H18ClNO3/c1-14-6-5-8-9(15-2)7-10(16-3)12(17-4)11(8)13/h7,14H,5-6H2,1-4H3
InChIKeyVDOIFXVTUMKWHN-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.13
Rot. Bonds6

About 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine

2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine (PubChem CID 117403574) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
PubChem CID117403574
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(OC)cc(OC)c(OC)c1Cl
InChIInChI=1S/C12H18ClNO3/c1-14-6-5-8-9(15-2)7-10(16-3)12(17-4)11(8)13/h7,14H,5-6H2,1-4H3
InChIKeyVDOIFXVTUMKWHN-UHFFFAOYSA-N
XLogP2.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 117397885
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117327131
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine (CID 117403574) is 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine is CNCCc1c(OC)cc(OC)c(OC)c1Cl.
What is the InChIKey of 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine?
The InChIKey is VDOIFXVTUMKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-14-6-5-8-9(15-2)7-10(16-3)12(17-4)11(8)13/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine?
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine has a molecular weight of 259.73 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 117403574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).