1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine

C15H24FNO — CID 55018505

IUPAC1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
SMILESCC(C)CCCOC(c1ccccc1F)C(C)N
InChIInChI=1S/C15H24FNO/c1-11(2)7-6-10-18-15(12(3)17)13-8-4-5-9-14(13)16/h4-5,8-9,11-12,15H,6-7,10,17H2,1-3H3
InChIKeyGLKMKWOEUDUENW-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.67
Rot. Bonds7

About 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine

1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine (PubChem CID 55018505) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
PubChem CID55018505
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
SMILESCC(C)CCCOC(c1ccccc1F)C(C)N
InChIInChI=1S/C15H24FNO/c1-11(2)7-6-10-18-15(12(3)17)13-8-4-5-9-14(13)16/h4-5,8-9,11-12,15H,6-7,10,17H2,1-3H3
InChIKeyGLKMKWOEUDUENW-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-1-(4-methylpentoxy)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

1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962
1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine (CID 55018505) is 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine is CC(C)CCCOC(c1ccccc1F)C(C)N.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine?
The InChIKey is GLKMKWOEUDUENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)7-6-10-18-15(12(3)17)13-8-4-5-9-14(13)16/h4-5,8-9,11-12,15H,6-7,10,17H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine?
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine is sourced from PubChem (CID 55018505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).