1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine

C15H24FNO2 — CID 63686342

IUPAC1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOC(c1cccc(F)c1)C(N)CC
InChIInChI=1S/C15H24FNO2/c1-3-8-18-9-10-19-15(14(17)4-2)12-6-5-7-13(16)11-12/h5-7,11,14-15H,3-4,8-10,17H2,1-2H3
InChIKeyNLBCHKIZIIZLCE-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.05
Rot. Bonds9

About 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine

1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine (PubChem CID 63686342) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
PubChem CID63686342
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOC(c1cccc(F)c1)C(N)CC
InChIInChI=1S/C15H24FNO2/c1-3-8-18-9-10-19-15(14(17)4-2)12-6-5-7-13(16)11-12/h5-7,11,14-15H,3-4,8-10,17H2,1-2H3
InChIKeyNLBCHKIZIIZLCE-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-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-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
CID 64744328
1-(3-fluorophenyl)-1-propoxypropan-2-one
CID 83226536
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine (CID 63686342) is 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine is CCCOCCOC(c1cccc(F)c1)C(N)CC.
What is the InChIKey of 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine?
The InChIKey is NLBCHKIZIIZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-8-18-9-10-19-15(14(17)4-2)12-6-5-7-13(16)11-12/h5-7,11,14-15H,3-4,8-10,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine?
1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine is sourced from PubChem (CID 63686342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).