2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine

C12H18ClNO2 — CID 116952676

IUPAC2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
SMILESCNC(CCl)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H18ClNO2/c1-8-5-9(15-3)6-11(16-4)12(8)10(7-13)14-2/h5-6,10,14H,7H2,1-4H3
InChIKeyMRERXYXUYJPRLM-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine

2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine (PubChem CID 116952676) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
PubChem CID116952676
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
SMILESCNC(CCl)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H18ClNO2/c1-8-5-9(15-3)6-11(16-4)12(8)10(7-13)14-2/h5-6,10,14H,7H2,1-4H3
InChIKeyMRERXYXUYJPRLM-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine (CID 116952676) is 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine is CNC(CCl)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine?
The InChIKey is MRERXYXUYJPRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8-5-9(15-3)6-11(16-4)12(8)10(7-13)14-2/h5-6,10,14H,7H2,1-4H3.
What are the key properties of 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine?
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine has a molecular weight of 243.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 116952676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).