2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine

C10H13Cl2N — CID 56690078

IUPAC2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Cl)c1ccccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-13(2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3
InChIKeyBBEFSAFIXGSMSA-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine

2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine (PubChem CID 56690078) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
PubChem CID56690078
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Cl)c1ccccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-13(2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3
InChIKeyBBEFSAFIXGSMSA-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.18
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-N,N-dimethyl-2-(2-methylphenyl)ethanamine
CID 90158415
1-chloro-2-(1,2-dichloroethyl)benzene
CID 14832347
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride
CID 90158504
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
CID 70378333
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine (CID 56690078) is 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine is CN(C)CC(Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine?
The InChIKey is BBEFSAFIXGSMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-13(2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine?
2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine has a molecular weight of 218.13 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 56690078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).