2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine

C14H13Cl2NO — CID 63942155

IUPAC2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO/c15-11-7-12(16)9-14(8-11)18-13-3-1-2-10(6-13)4-5-17/h1-3,6-9H,4-5,17H2
InChIKeyAFKUNXURPVNKAE-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.29
Rot. Bonds4

About 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine

2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine (PubChem CID 63942155) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
PubChem CID63942155
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO/c15-11-7-12(16)9-14(8-11)18-13-3-1-2-10(6-13)4-5-17/h1-3,6-9H,4-5,17H2
InChIKeyAFKUNXURPVNKAE-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 81160567
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
CID 170893180
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
1-[3-(3,5-dichlorophenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889011
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine (CID 63942155) is 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine is NCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine?
The InChIKey is AFKUNXURPVNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-11-7-12(16)9-14(8-11)18-13-3-1-2-10(6-13)4-5-17/h1-3,6-9H,4-5,17H2.
What are the key properties of 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine?
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine has a molecular weight of 282.17 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63942155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).