1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine

C16H26ClNO — CID 55194219

IUPAC1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
SMILESCCCCCCOc1ccc(Cl)cc1C(C)NCC
InChIInChI=1S/C16H26ClNO/c1-4-6-7-8-11-19-16-10-9-14(17)12-15(16)13(3)18-5-2/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyQHUYIKHFGWGUDY-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.97
Rot. Bonds9

About 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine

1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine (PubChem CID 55194219) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
PubChem CID55194219
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
SMILESCCCCCCOc1ccc(Cl)cc1C(C)NCC
InChIInChI=1S/C16H26ClNO/c1-4-6-7-8-11-19-16-10-9-14(17)12-15(16)13(3)18-5-2/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyQHUYIKHFGWGUDY-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine (CID 55194219) is 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine is CCCCCCOc1ccc(Cl)cc1C(C)NCC.
What is the InChIKey of 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine?
The InChIKey is QHUYIKHFGWGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-6-7-8-11-19-16-10-9-14(17)12-15(16)13(3)18-5-2/h9-10,12-13,18H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine?
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine has a molecular weight of 283.84 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 55194219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).