1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine

C11H16ClNO2 — CID 43486339

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C11H16ClNO2/c1-7(13-2)8-5-10(14-3)11(15-4)6-9(8)12/h5-7,13H,1-4H3
InChIKeyHYPZNSOSJRKMNS-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine

1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine (PubChem CID 43486339) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
PubChem CID43486339
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C11H16ClNO2/c1-7(13-2)8-5-10(14-3)11(15-4)6-9(8)12/h5-7,13H,1-4H3
InChIKeyHYPZNSOSJRKMNS-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 130664375
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476105
1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
CID 143593271
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine (CID 43486339) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine is CNC(C)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is HYPZNSOSJRKMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7(13-2)8-5-10(14-3)11(15-4)6-9(8)12/h5-7,13H,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43486339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).