1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine

C16H26ClNO — CID 63499413

IUPAC1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
SMILESCCCCC(CC)COc1ccc(Cl)cc1C(C)N
InChIInChI=1S/C16H26ClNO/c1-4-6-7-13(5-2)11-19-16-9-8-14(17)10-15(16)12(3)18/h8-10,12-13H,4-7,11,18H2,1-3H3
InChIKeyBBIAGMKHNVYLPU-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.95
Rot. Bonds8

About 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine

1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine (PubChem CID 63499413) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
PubChem CID63499413
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
SMILESCCCCC(CC)COc1ccc(Cl)cc1C(C)N
InChIInChI=1S/C16H26ClNO/c1-4-6-7-13(5-2)11-19-16-9-8-14(17)10-15(16)12(3)18/h8-10,12-13H,4-7,11,18H2,1-3H3
InChIKeyBBIAGMKHNVYLPU-UHFFFAOYSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
CID 43128566
(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
CID 78944050
1-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-3-ethoxypropan-2-ol
CID 78954626
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
1-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988427
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763
[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
CID 86308559
(1S)-1-(5-chloro-2-prop-2-enoxyphenyl)ethanamine
CID 78933106

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine (CID 63499413) is 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine is CCCCC(CC)COc1ccc(Cl)cc1C(C)N.
What is the InChIKey of 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine?
The InChIKey is BBIAGMKHNVYLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-6-7-13(5-2)11-19-16-9-8-14(17)10-15(16)12(3)18/h8-10,12-13H,4-7,11,18H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine?
1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine has a molecular weight of 283.84 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine is sourced from PubChem (CID 63499413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).