2-[4-(3-chlorophenoxy)phenoxy]ethanamine

C14H14ClNO2 — CID 19881384

IUPAC2-[4-(3-chlorophenoxy)phenoxy]ethanamine
SMILESNCCOc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO2/c15-11-2-1-3-14(10-11)18-13-6-4-12(5-7-13)17-9-8-16/h1-7,10H,8-9,16H2
InChIKeyXIKUHWCYRQDDTO-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-(3-chlorophenoxy)phenoxy]ethanamine

2-[4-(3-chlorophenoxy)phenoxy]ethanamine (PubChem CID 19881384) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-[4-(3-chlorophenoxy)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenoxy)phenoxy]ethanamine
PubChem CID19881384
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-[4-(3-chlorophenoxy)phenoxy]ethanamine
SMILESNCCOc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO2/c15-11-2-1-3-14(10-11)18-13-6-4-12(5-7-13)17-9-8-16/h1-7,10H,8-9,16H2
InChIKeyXIKUHWCYRQDDTO-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
CID 139615693
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
N'-[5-(3-chlorophenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224550
2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
CID 163408289

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenoxy)phenoxy]ethanamine?
The IUPAC name of 2-[4-(3-chlorophenoxy)phenoxy]ethanamine (CID 19881384) is 2-[4-(3-chlorophenoxy)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenoxy)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(3-chlorophenoxy)phenoxy]ethanamine is NCCOc1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenoxy)phenoxy]ethanamine?
The InChIKey is XIKUHWCYRQDDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-11-2-1-3-14(10-11)18-13-6-4-12(5-7-13)17-9-8-16/h1-7,10H,8-9,16H2.
What are the key properties of 2-[4-(3-chlorophenoxy)phenoxy]ethanamine?
2-[4-(3-chlorophenoxy)phenoxy]ethanamine has a molecular weight of 263.72 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenoxy)phenoxy]ethanamine is sourced from PubChem (CID 19881384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).