1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine

C15H24FNO2 — CID 106447005

IUPAC1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
SMILESCC(C)COCCOC(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C15H24FNO2/c1-11(2)10-18-8-9-19-15(12(3)17)13-4-6-14(16)7-5-13/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyLJRXUIGOQNQDBY-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.90
Rot. Bonds8

About 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine

1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine (PubChem CID 106447005) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
PubChem CID106447005
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
SMILESCC(C)COCCOC(c1ccc(F)cc1)C(C)N
InChIInChI=1S/C15H24FNO2/c1-11(2)10-18-8-9-19-15(12(3)17)13-4-6-14(16)7-5-13/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyLJRXUIGOQNQDBY-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845
1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
CID 55014973
1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
CID 106199991
1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
CID 106446893
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-fluoro-4-(1-propoxypropan-2-yl)benzene
CID 89390426
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine (CID 106447005) is 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine is CC(C)COCCOC(c1ccc(F)cc1)C(C)N.
What is the InChIKey of 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
The InChIKey is LJRXUIGOQNQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(2)10-18-8-9-19-15(12(3)17)13-4-6-14(16)7-5-13/h4-7,11-12,15H,8-10,17H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine is sourced from PubChem (CID 106447005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).