2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine

C16H24ClNO — CID 105155171

IUPAC2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
SMILESCCC1CCC(C(N)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16H,2,6-9,11,18H2,1H3
InChIKeyFGZUFBWLBKAARI-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine

2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine (PubChem CID 105155171) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
PubChem CID105155171
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
SMILESCCC1CCC(C(N)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16H,2,6-9,11,18H2,1H3
InChIKeyFGZUFBWLBKAARI-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine (CID 105155171) is 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine is CCC1CCC(C(N)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine?
The InChIKey is FGZUFBWLBKAARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16H,2,6-9,11,18H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine?
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 105155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).