2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol

C20H24FNO2 — CID 42836975

IUPAC2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
SMILESOC(CN(Cc1ccccc1F)CC1CCCO1)c1ccccc1
InChIInChI=1S/C20H24FNO2/c21-19-11-5-4-9-17(19)13-22(14-18-10-6-12-24-18)15-20(23)16-7-2-1-3-8-16/h1-5,7-9,11,18,20,23H,6,10,12-15H2
InChIKeyVCPAWWAUEBIUMN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.54
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol

2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol (PubChem CID 42836975) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
PubChem CID42836975
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
SMILESOC(CN(Cc1ccccc1F)CC1CCCO1)c1ccccc1
InChIInChI=1S/C20H24FNO2/c21-19-11-5-4-9-17(19)13-22(14-18-10-6-12-24-18)15-20(23)16-7-2-1-3-8-16/h1-5,7-9,11,18,20,23H,6,10,12-15H2
InChIKeyVCPAWWAUEBIUMN-UHFFFAOYSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93147017
(2S)-1-[(2-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 129422627
2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 24713986
2-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78793489
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 46954463
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
2-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-1-phenylethanol
CID 42836977
3-[[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 92572737
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
(2S)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129426977

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol (CID 42836975) is 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol is OC(CN(Cc1ccccc1F)CC1CCCO1)c1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
The InChIKey is VCPAWWAUEBIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-19-11-5-4-9-17(19)13-22(14-18-10-6-12-24-18)15-20(23)16-7-2-1-3-8-16/h1-5,7-9,11,18,20,23H,6,10,12-15H2.
What are the key properties of 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol has a molecular weight of 329.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol is sourced from PubChem (CID 42836975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).