2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine

C15H22FNO — CID 81365028

IUPAC2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
SMILESCCC1CC(N[C@@H](C)c2cccc(F)c2)CCO1
InChIInChI=1S/C15H22FNO/c1-3-15-10-14(7-8-18-15)17-11(2)12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyREKWHVBCAFDPKE-QGLTVNCISA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds4

About 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine

2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine (PubChem CID 81365028) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
PubChem CID81365028
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
SMILESCCC1CC(N[C@@H](C)c2cccc(F)c2)CCO1
InChIInChI=1S/C15H22FNO/c1-3-15-10-14(7-8-18-15)17-11(2)12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyREKWHVBCAFDPKE-QGLTVNCISA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
CID 81347446
N-[(1S)-1-(3-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 81364604
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine (CID 81365028) is 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine is CCC1CC(N[C@@H](C)c2cccc(F)c2)CCO1.
What is the InChIKey of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine?
The InChIKey is REKWHVBCAFDPKE-QGLTVNCISA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-15-10-14(7-8-18-15)17-11(2)12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3/t11-,14?,15?/m0/s1.
What are the key properties of 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine?
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 81365028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).