1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine

C14H22ClNO2 — CID 62074237

IUPAC1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCCOCC
InChIInChI=1S/C14H22ClNO2/c1-4-16-11(3)13-10-12(15)6-7-14(13)18-9-8-17-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyVHGGPRHEQVMOKQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.43
Rot. Bonds8

About 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine

1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine (PubChem CID 62074237) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
PubChem CID62074237
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Cl)ccc1OCCOCC
InChIInChI=1S/C14H22ClNO2/c1-4-16-11(3)13-10-12(15)6-7-14(13)18-9-8-17-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyVHGGPRHEQVMOKQ-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 102999720
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine (CID 62074237) is 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Cl)ccc1OCCOCC.
What is the InChIKey of 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine?
The InChIKey is VHGGPRHEQVMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-16-11(3)13-10-12(15)6-7-14(13)18-9-8-17-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine?
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine has a molecular weight of 271.79 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 62074237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).