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

C11H15Cl2NO — CID 116937561

IUPAC2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C(N)CCl
InChIInChI=1S/C11H15Cl2NO/c1-6-4-9(15-3)10(8(14)5-12)7(2)11(6)13/h4,8H,5,14H2,1-3H3
InChIKeyGOQIXNRTMYNUMG-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.20
Rot. Bonds3

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

2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine (PubChem CID 116937561) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
PubChem CID116937561
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C(N)CCl
InChIInChI=1S/C11H15Cl2NO/c1-6-4-9(15-3)10(8(14)5-12)7(2)11(6)13/h4,8H,5,14H2,1-3H3
InChIKeyGOQIXNRTMYNUMG-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.20
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)-N-methylethanamine
CID 116952629
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
3-amino-3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 116940407
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
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
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
CID 170894962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine (CID 116937561) is 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine is COc1cc(C)c(Cl)c(C)c1C(N)CCl.
What is the InChIKey of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine?
The InChIKey is GOQIXNRTMYNUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-6-4-9(15-3)10(8(14)5-12)7(2)11(6)13/h4,8H,5,14H2,1-3H3.
What are the key properties of 2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine?
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.20, 3 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)ethanamine is sourced from PubChem (CID 116937561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).