1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine

C15H22FNO — CID 112631436

IUPAC1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)C1CCCO1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-14(12-7-4-5-8-13(12)16)17-11(2)15-9-6-10-18-15/h4-5,7-8,11,14-15,17H,3,6,9-10H2,1-2H3
InChIKeyCAOKLJFWFJKSES-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine

1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 112631436) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID112631436
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)C1CCCO1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-14(12-7-4-5-8-13(12)16)17-11(2)15-9-6-10-18-15/h4-5,7-8,11,14-15,17H,3,6,9-10H2,1-2H3
InChIKeyCAOKLJFWFJKSES-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43208558
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 110893460
N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
CID 112639555
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine (CID 112631436) is 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine is CCC(NC(C)C1CCCO1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is CAOKLJFWFJKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-14(12-7-4-5-8-13(12)16)17-11(2)15-9-6-10-18-15/h4-5,7-8,11,14-15,17H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 112631436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).