2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine

C12H18ClN — CID 116907390

IUPAC2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
SMILESCc1ccc(C)c(C(CCl)N(C)C)c1
InChIInChI=1S/C12H18ClN/c1-9-5-6-10(2)11(7-9)12(8-13)14(3)4/h5-7,12H,8H2,1-4H3
InChIKeyVGPCRICZQYVKGU-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.14
Rot. Bonds3

About 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine

2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine (PubChem CID 116907390) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
PubChem CID116907390
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
SMILESCc1ccc(C)c(C(CCl)N(C)C)c1
InChIInChI=1S/C12H18ClN/c1-9-5-6-10(2)11(7-9)12(8-13)14(3)4/h5-7,12H,8H2,1-4H3
InChIKeyVGPCRICZQYVKGU-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-methoxy-5-methylphenyl)-N,N-dimethylethanamine
CID 116907394
3-(dimethylamino)-3-(2,5-dimethylphenyl)propanenitrile
CID 116909868
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
dimethylamino-(2,5-dimethylphenyl)methanol
CID 116909513
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82024010
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
3-(dimethylamino)-3-(2,4-dimethylphenyl)propane-1-thiol
CID 116908922
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82077390
2-(4-bromo-3-methylbutan-2-yl)-1,4-dimethylbenzene
CID 83928097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine (CID 116907390) is 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine is Cc1ccc(C)c(C(CCl)N(C)C)c1.
What is the InChIKey of 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine?
The InChIKey is VGPCRICZQYVKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9-5-6-10(2)11(7-9)12(8-13)14(3)4/h5-7,12H,8H2,1-4H3.
What are the key properties of 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine?
2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine has a molecular weight of 211.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116907390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).