2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol

C15H22FNO2 — CID 124753968

IUPAC2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1F)C[C@H]1CCCOC1
InChIInChI=1S/C15H22FNO2/c16-15-6-2-1-5-14(15)11-17(7-8-18)10-13-4-3-9-19-12-13/h1-2,5-6,13,18H,3-4,7-12H2/t13-/m1/s1
InChIKeyMZDGUCZCBISVPL-CYBMUJFWSA-N
MW267.34 g/mol
LogP2.05
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol

2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol (PubChem CID 124753968) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
PubChem CID124753968
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1F)C[C@H]1CCCOC1
InChIInChI=1S/C15H22FNO2/c16-15-6-2-1-5-14(15)11-17(7-8-18)10-13-4-3-9-19-12-13/h1-2,5-6,13,18H,3-4,7-12H2/t13-/m1/s1
InChIKeyMZDGUCZCBISVPL-CYBMUJFWSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 126835331
3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
CID 124755311
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112508
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
2-(chloromethyl)-6-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 114067848
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
CID 99767674
3-[(4-chloro-2-fluorophenyl)methyl-[[(3S)-oxolan-3-yl]methyl]amino]propanenitrile
CID 100637311
N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
CID 111696306
3-fluoro-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63713588
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol (CID 124753968) is 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1F)C[C@H]1CCCOC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol?
The InChIKey is MZDGUCZCBISVPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FNO2/c16-15-6-2-1-5-14(15)11-17(7-8-18)10-13-4-3-9-19-12-13/h1-2,5-6,13,18H,3-4,7-12H2/t13-/m1/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol?
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 124753968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).