2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine

C16H17Cl2NO — CID 114863101

IUPAC2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
SMILESCCc1cc(Oc2ccc(Cl)cc2CCN)ccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-2-11-10-14(4-5-15(11)18)20-16-6-3-13(17)9-12(16)7-8-19/h3-6,9-10H,2,7-8,19H2,1H3
InChIKeyYUCZYICPAWDXBI-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.85
Rot. Bonds5

About 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine

2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine (PubChem CID 114863101) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
PubChem CID114863101
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
SMILESCCc1cc(Oc2ccc(Cl)cc2CCN)ccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-2-11-10-14(4-5-15(11)18)20-16-6-3-13(17)9-12(16)7-8-19/h3-6,9-10H,2,7-8,19H2,1H3
InChIKeyYUCZYICPAWDXBI-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[2-(3,4-dichlorophenoxy)-5-methylsulfinylphenyl]ethanamine
CID 141036025
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
CID 63735170
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772
2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
CID 105350803
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
CID 154573621
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine (CID 114863101) is 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine is CCc1cc(Oc2ccc(Cl)cc2CCN)ccc1Cl.
What is the InChIKey of 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine?
The InChIKey is YUCZYICPAWDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-11-10-14(4-5-15(11)18)20-16-6-3-13(17)9-12(16)7-8-19/h3-6,9-10H,2,7-8,19H2,1H3.
What are the key properties of 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine?
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 114863101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).