2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol

C19H24ClNO3 — CID 66768430

IUPAC2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1ccc(OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO3/c1-19(21,14-22)11-10-15-2-6-17(7-3-15)23-12-13-24-18-8-4-16(20)5-9-18/h2-9,22H,10-14,21H2,1H3
InChIKeyFRUINVINRUIOMO-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.44
Rot. Bonds9

About 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol

2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol (PubChem CID 66768430) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
PubChem CID66768430
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCc1ccc(OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO3/c1-19(21,14-22)11-10-15-2-6-17(7-3-15)23-12-13-24-18-8-4-16(20)5-9-18/h2-9,22H,10-14,21H2,1H3
InChIKeyFRUINVINRUIOMO-UHFFFAOYSA-N
XLogP3.44
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol (CID 66768430) is 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol is CC(N)(CO)CCc1ccc(OCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol?
The InChIKey is FRUINVINRUIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-19(21,14-22)11-10-15-2-6-17(7-3-15)23-12-13-24-18-8-4-16(20)5-9-18/h2-9,22H,10-14,21H2,1H3.
What are the key properties of 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol?
2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol has a molecular weight of 349.86 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol is sourced from PubChem (CID 66768430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).