1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine

C15H24ClNO2 — CID 112587918

IUPAC1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCOC(C)(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO2/c1-11(17-5)13-7-6-12(10-14(13)16)18-8-9-19-15(2,3)4/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyNUILSDROPQWTDX-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine

1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine (PubChem CID 112587918) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine
PubChem CID112587918
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCOC(C)(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO2/c1-11(17-5)13-7-6-12(10-14(13)16)18-8-9-19-15(2,3)4/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyNUILSDROPQWTDX-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine (CID 112587918) is 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCOC(C)(C)C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine?
The InChIKey is NUILSDROPQWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-11(17-5)13-7-6-12(10-14(13)16)18-8-9-19-15(2,3)4/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine?
1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine has a molecular weight of 285.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 112587918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).