1-(3-fluorophenyl)-5-phenoxypentan-2-amine

C17H20FNO — CID 62936292

IUPAC1-(3-fluorophenyl)-5-phenoxypentan-2-amine
SMILESNC(CCCOc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c18-15-7-4-6-14(12-15)13-16(19)8-5-11-20-17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16H,5,8,11,13,19H2
InChIKeyDUUYIEBPIUEZDJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.55
Rot. Bonds7

About 1-(3-fluorophenyl)-5-phenoxypentan-2-amine

1-(3-fluorophenyl)-5-phenoxypentan-2-amine (PubChem CID 62936292) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-phenoxypentan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-phenoxypentan-2-amine
PubChem CID62936292
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluorophenyl)-5-phenoxypentan-2-amine
SMILESNC(CCCOc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c18-15-7-4-6-14(12-15)13-16(19)8-5-11-20-17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16H,5,8,11,13,19H2
InChIKeyDUUYIEBPIUEZDJ-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenoxy-1-phenylpentan-2-amine
CID 62935761
1-(3,5-difluorophenyl)-4-phenoxybutan-2-amine
CID 115601755
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
2-(3-fluorophenyl)-5-phenoxypentanenitrile
CID 82137523
5-methoxy-1-phenylpentan-2-amine
CID 62608693
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-phenoxypentan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-5-phenoxypentan-2-amine (CID 62936292) is 1-(3-fluorophenyl)-5-phenoxypentan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-5-phenoxypentan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-5-phenoxypentan-2-amine is NC(CCCOc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-phenoxypentan-2-amine?
The InChIKey is DUUYIEBPIUEZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-7-4-6-14(12-15)13-16(19)8-5-11-20-17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16H,5,8,11,13,19H2.
What are the key properties of 1-(3-fluorophenyl)-5-phenoxypentan-2-amine?
1-(3-fluorophenyl)-5-phenoxypentan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-phenoxypentan-2-amine is sourced from PubChem (CID 62936292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).