(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol

C16H22FNO2 — CID 129424046

IUPAC(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
SMILESO[C@H](CN(C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h3-6,14-16,19H,1-2,7-11H2/t15-,16-/m1/s1
InChIKeySDVBRRUTFLVHJS-HZPDHXFCSA-N
MW279.36 g/mol
LogP2.50
Rot. Bonds6

About (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol

(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol (PubChem CID 129424046) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
PubChem CID129424046
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
SMILESO[C@H](CN(C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h3-6,14-16,19H,1-2,7-11H2/t15-,16-/m1/s1
InChIKeySDVBRRUTFLVHJS-HZPDHXFCSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
CID 71999867
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129421269
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79438066
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(4-fluorophenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62642970
2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
CID 111462245

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol (CID 129424046) is (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol is O[C@H](CN(C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is SDVBRRUTFLVHJS-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-13-5-3-12(4-6-13)16(19)11-18(14-7-8-14)10-15-2-1-9-20-15/h3-6,14-16,19H,1-2,7-11H2/t15-,16-/m1/s1.
What are the key properties of (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol?
(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 279.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 129424046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).