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

C15H22FNO — CID 81347446

IUPAC2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
SMILESCCC1CC(N[C@@H](C)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H22FNO/c1-3-15-10-14(8-9-18-15)17-11(2)12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyIFXIOHDBTHNLSV-QGLTVNCISA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds4

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

2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine (PubChem CID 81347446) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
PubChem CID81347446
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
SMILESCCC1CC(N[C@@H](C)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H22FNO/c1-3-15-10-14(8-9-18-15)17-11(2)12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3/t11-,14?,15?/m0/s1
InChIKeyIFXIOHDBTHNLSV-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-(3-fluorophenyl)ethyl]oxan-4-amine
CID 81365028
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
CID 81352507
N-[(1S)-1-(4-bromophenyl)ethyl]-2-propyloxan-4-amine
CID 81353815
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
N-[(1S)-1-(3-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 81364604

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine (CID 81347446) is 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine is CCC1CC(N[C@@H](C)c2ccc(F)cc2)CCO1.
What is the InChIKey of 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine?
The InChIKey is IFXIOHDBTHNLSV-QGLTVNCISA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-15-10-14(8-9-18-15)17-11(2)12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3/t11-,14?,15?/m0/s1.
What are the key properties of 2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine?
2-ethyl-N-[(1S)-1-(4-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-(4-fluorophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 81347446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).