1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine

C9H10ClF2NO — CID 84724924

IUPAC1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine
SMILESNC(COC(F)F)c1ccccc1Cl
InChIInChI=1S/C9H10ClF2NO/c10-7-4-2-1-3-6(7)8(13)5-14-9(11)12/h1-4,8-9H,5,13H2
InChIKeyUHCMAARKDYKLQY-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine

1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine (PubChem CID 84724924) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine
PubChem CID84724924
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine
SMILESNC(COC(F)F)c1ccccc1Cl
InChIInChI=1S/C9H10ClF2NO/c10-7-4-2-1-3-6(7)8(13)5-14-9(11)12/h1-4,8-9H,5,13H2
InChIKeyUHCMAARKDYKLQY-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

1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
(1S)-2-(difluoromethoxy)-1-phenylethanamine
CID 118168971
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678
1-(2-chlorophenyl)but-3-en-1-amine
CID 15322297
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
(1S)-1-(2-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 50999277
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine (CID 84724924) is 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine is NC(COC(F)F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine?
The InChIKey is UHCMAARKDYKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-7-4-2-1-3-6(7)8(13)5-14-9(11)12/h1-4,8-9H,5,13H2.
What are the key properties of 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine?
1-(2-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 1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine is sourced from PubChem (CID 84724924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).