2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine

C12H17Cl2NO — CID 116952629

IUPAC2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(CCl)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H17Cl2NO/c1-7-5-10(16-4)11(8(2)12(7)14)9(6-13)15-3/h5,9,15H,6H2,1-4H3
InChIKeyXCCYAESNLXQODN-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine

2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine (PubChem CID 116952629) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
PubChem CID116952629
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(CCl)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H17Cl2NO/c1-7-5-10(16-4)11(8(2)12(7)14)9(6-13)15-3/h5,9,15H,6H2,1-4H3
InChIKeyXCCYAESNLXQODN-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene
CID 83938156
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83938113
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
3-amino-3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 116940407
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine (CID 116952629) is 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine is CNC(CCl)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is XCCYAESNLXQODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-7-5-10(16-4)11(8(2)12(7)14)9(6-13)15-3/h5,9,15H,6H2,1-4H3.
What are the key properties of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine?
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 262.18 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 116952629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).