2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine

C9H10ClF2NO — CID 84724920

IUPAC2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
SMILESNCC(OC(F)F)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClF2NO/c10-7-3-1-2-6(4-7)8(5-13)14-9(11)12/h1-4,8-9H,5,13H2
InChIKeyLOUKERLATCVCGJ-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.58
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine

2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine (PubChem CID 84724920) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
PubChem CID84724920
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
SMILESNCC(OC(F)F)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClF2NO/c10-7-3-1-2-6(4-7)8(5-13)14-9(11)12/h1-4,8-9H,5,13H2
InChIKeyLOUKERLATCVCGJ-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
3-(3-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453999
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 96707876
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
CID 114340592

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine (CID 84724920) is 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine is NCC(OC(F)F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine?
The InChIKey is LOUKERLATCVCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-7-3-1-2-6(4-7)8(5-13)14-9(11)12/h1-4,8-9H,5,13H2.
What are the key properties of 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine?
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine has a molecular weight of 221.63 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine is sourced from PubChem (CID 84724920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).