N-[1-(3-fluorophenyl)propyl]oxolan-3-amine

C13H18FNO — CID 114871720

IUPACN-[1-(3-fluorophenyl)propyl]oxolan-3-amine
SMILESCCC(NC1CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-2-13(15-12-6-7-16-9-12)10-4-3-5-11(14)8-10/h3-5,8,12-13,15H,2,6-7,9H2,1H3
InChIKeySCQOYUMFLSKVMJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(3-fluorophenyl)propyl]oxolan-3-amine

N-[1-(3-fluorophenyl)propyl]oxolan-3-amine (PubChem CID 114871720) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]oxolan-3-amine
PubChem CID114871720
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[1-(3-fluorophenyl)propyl]oxolan-3-amine
SMILESCCC(NC1CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-2-13(15-12-6-7-16-9-12)10-4-3-5-11(14)8-10/h3-5,8,12-13,15H,2,6-7,9H2,1H3
InChIKeySCQOYUMFLSKVMJ-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
N-[1-(4-fluorophenyl)propyl]oxan-3-amine
CID 63360091
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]-1,1-dioxothian-3-amine
CID 114871597
N-[1-(3-fluorophenyl)propyl]-2,2-dimethylcyclopropan-1-amine
CID 114871515
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-(1-phenylpropyl)oxetan-3-amine
CID 63624948
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]oxolan-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]oxolan-3-amine (CID 114871720) is N-[1-(3-fluorophenyl)propyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]oxolan-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]oxolan-3-amine is CCC(NC1CCOC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]oxolan-3-amine?
The InChIKey is SCQOYUMFLSKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-13(15-12-6-7-16-9-12)10-4-3-5-11(14)8-10/h3-5,8,12-13,15H,2,6-7,9H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]oxolan-3-amine?
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine has a molecular weight of 223.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]oxolan-3-amine is sourced from PubChem (CID 114871720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).