2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C17H26FNO — CID 79437798

IUPAC2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-11-19-13-15(7-10-17-4-3-12-20-17)14-5-8-16(18)9-6-14/h5-6,8-9,15,17,19H,2-4,7,10-13H2,1H3
InChIKeyDDZPWTGZZGITKH-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.87
Rot. Bonds8

About 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 79437798) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID79437798
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-11-19-13-15(7-10-17-4-3-12-20-17)14-5-8-16(18)9-6-14/h5-6,8-9,15,17,19H,2-4,7,10-13H2,1H3
InChIKeyDDZPWTGZZGITKH-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.87
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

2-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79432124
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79438066
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 79437798) is 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNCC(CCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is DDZPWTGZZGITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-11-19-13-15(7-10-17-4-3-12-20-17)14-5-8-16(18)9-6-14/h5-6,8-9,15,17,19H,2-4,7,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79437798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).