2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine

C10H13ClFN — CID 116907486

IUPAC2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)C(CCl)c1cccc(F)c1
InChIInChI=1S/C10H13ClFN/c1-13(2)10(7-11)8-4-3-5-9(12)6-8/h3-6,10H,7H2,1-2H3
InChIKeyVCGAVMOKWFOISG-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.67
Rot. Bonds3

About 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine

2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine (PubChem CID 116907486) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
PubChem CID116907486
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)C(CCl)c1cccc(F)c1
InChIInChI=1S/C10H13ClFN/c1-13(2)10(7-11)8-4-3-5-9(12)6-8/h3-6,10H,7H2,1-2H3
InChIKeyVCGAVMOKWFOISG-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.67
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

(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905619
4-(dimethylamino)-4-(3-fluorophenyl)-2,2-dimethylbutanoic acid
CID 116908326
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine (CID 116907486) is 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine is CN(C)C(CCl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine?
The InChIKey is VCGAVMOKWFOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-13(2)10(7-11)8-4-3-5-9(12)6-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine?
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine has a molecular weight of 201.67 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116907486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).