1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine

C15H23F2NO2 — CID 106455652

IUPAC1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
SMILESCC(C)COCCOc1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C15H23F2NO2/c1-10(2)9-19-4-5-20-15-13(16)7-12(6-11(3)18)8-14(15)17/h7-8,10-11H,4-6,9,18H2,1-3H3
InChIKeyVKVYZWBEIDAASY-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.91
Rot. Bonds8

About 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine

1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine (PubChem CID 106455652) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
PubChem CID106455652
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
SMILESCC(C)COCCOc1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C15H23F2NO2/c1-10(2)9-19-4-5-20-15-13(16)7-12(6-11(3)18)8-14(15)17/h7-8,10-11H,4-6,9,18H2,1-3H3
InChIKeyVKVYZWBEIDAASY-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.91
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-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 79888311
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine (CID 106455652) is 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine is CC(C)COCCOc1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
The InChIKey is VKVYZWBEIDAASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-10(2)9-19-4-5-20-15-13(16)7-12(6-11(3)18)8-14(15)17/h7-8,10-11H,4-6,9,18H2,1-3H3.
What are the key properties of 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine?
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 106455652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).