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

C14H20FNO — CID 104865494

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1F)C1CCOC1
InChIInChI=1S/C14H20FNO/c1-10(12-7-8-17-9-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-,12?/m1/s1
InChIKeyDCGFFWLJQVRPAM-MOENNCHZSA-N
MW237.32 g/mol
LogP2.90
Rot. Bonds4

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

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 104865494) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID104865494
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1F)C1CCOC1
InChIInChI=1S/C14H20FNO/c1-10(12-7-8-17-9-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-,12?/m1/s1
InChIKeyDCGFFWLJQVRPAM-MOENNCHZSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
CID 113429377
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
CID 90383596
2-(2-fluorophenyl)-2-(oxolan-3-yl)acetaldehyde
CID 105461575
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
(1S)-N-[(1S)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-[(3S)-oxolan-3-yl]ethanamine
CID 125419954
(1R)-N-[(1S)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-[(3S)-oxolan-3-yl]ethanamine
CID 125419953
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 104865494) is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine is CC(N[C@H](C)c1ccccc1F)C1CCOC1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is DCGFFWLJQVRPAM-MOENNCHZSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(12-7-8-17-9-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104865494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).