1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine

C16H17ClFNO — CID 105394867

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
SMILESCCNC(COc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-10-12(18)8-9-15(14)17/h3-10,16,19H,2,11H2,1H3
InChIKeyKVVHHYZHYWAUBS-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.21
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine (PubChem CID 105394867) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
PubChem CID105394867
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
SMILESCCNC(COc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-10-12(18)8-9-15(14)17/h3-10,16,19H,2,11H2,1H3
InChIKeyKVVHHYZHYWAUBS-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 105394830
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 106762446
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine (CID 105394867) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine is CCNC(COc1ccccc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine?
The InChIKey is KVVHHYZHYWAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-10-12(18)8-9-15(14)17/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine is sourced from PubChem (CID 105394867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).