(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

C14H20FNO — CID 81365361

IUPAC(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESC[C@H](NCCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-11(12-4-2-5-13(15)10-12)16-8-7-14-6-3-9-17-14/h2,4-5,10-11,14,16H,3,6-9H2,1H3/t11-,14?/m0/s1
InChIKeyHZOFFEHAEGOWMU-ZSOXZCCMSA-N
MW237.32 g/mol
LogP3.05
Rot. Bonds5

About (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 81365361) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID81365361
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESC[C@H](NCCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-11(12-4-2-5-13(15)10-12)16-8-7-14-6-3-9-17-14/h2,4-5,10-11,14,16H,3,6-9H2,1H3/t11-,14?/m0/s1
InChIKeyHZOFFEHAEGOWMU-ZSOXZCCMSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
N-[1-[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165516
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
N-[1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165463
N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745597
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 81365361) is (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is C[C@H](NCCC1CCCO1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is HZOFFEHAEGOWMU-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(12-4-2-5-13(15)10-12)16-8-7-14-6-3-9-17-14/h2,4-5,10-11,14,16H,3,6-9H2,1H3/t11-,14?/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81365361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).