1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine

C14H12Cl2FNO — CID 105396960

IUPAC1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
SMILESNC(COc1cccc(Cl)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(17)4-5-13(12)16/h1-7,14H,8,18H2
InChIKeyTZTMDLGMORCCLB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.21
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine

1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine (PubChem CID 105396960) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
PubChem CID105396960
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
SMILESNC(COc1cccc(Cl)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(17)4-5-13(12)16/h1-7,14H,8,18H2
InChIKeyTZTMDLGMORCCLB-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 117240114
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
CID 60899861
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine (CID 105396960) is 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine is NC(COc1cccc(Cl)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine?
The InChIKey is TZTMDLGMORCCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(17)4-5-13(12)16/h1-7,14H,8,18H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine?
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine has a molecular weight of 300.16 g/mol, XLogP of 4.21, 4 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)-2-(3-chlorophenoxy)ethanamine is sourced from PubChem (CID 105396960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).