(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine

C14H13Cl2NO — CID 28551604

IUPAC(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3/t9-/m0/s1
InChIKeyVZXNXIZRTKMJAU-VIFPVBQESA-N
MW282.17 g/mol
LogP4.81
Rot. Bonds3

About (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine

(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine (PubChem CID 28551604) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
PubChem CID28551604
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3/t9-/m0/s1
InChIKeyVZXNXIZRTKMJAU-VIFPVBQESA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[2-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 64855797
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
CID 82976219
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine (CID 28551604) is (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine is C[C@H](N)c1ccccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine?
The InChIKey is VZXNXIZRTKMJAU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine?
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine has a molecular weight of 282.17 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 28551604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).