2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine

C16H23Cl2NO — CID 63861675

IUPAC2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCCCC1Oc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C16H23Cl2NO/c1-2-11-5-3-4-6-15(11)20-16-12(7-8-19)9-13(17)10-14(16)18/h9-11,15H,2-8,19H2,1H3
InChIKeyNBLKDSXBHSQDOQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.84
Rot. Bonds5

About 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine

2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 63861675) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID63861675
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCCCC1Oc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C16H23Cl2NO/c1-2-11-5-3-4-6-15(11)20-16-12(7-8-19)9-13(17)10-14(16)18/h9-11,15H,2-8,19H2,1H3
InChIKeyNBLKDSXBHSQDOQ-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
CID 79887009
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
CID 62533930
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
CID 82726671
[4-(2-ethylcyclohexyl)oxy-3,5-dimethylphenyl]methanol
CID 63862685
[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
CID 112613680
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine (CID 63861675) is 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine is CCC1CCCCC1Oc1c(Cl)cc(Cl)cc1CCN.
What is the InChIKey of 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is NBLKDSXBHSQDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-11-5-3-4-6-15(11)20-16-12(7-8-19)9-13(17)10-14(16)18/h9-11,15H,2-8,19H2,1H3.
What are the key properties of 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 316.27 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 63861675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).