1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol

C14H21NO2 — CID 113290123

IUPAC1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
SMILESCC1OCCC1NCC(C)(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11-13(8-9-17-11)15-10-14(2,16)12-6-4-3-5-7-12/h3-7,11,13,15-16H,8-10H2,1-2H3
InChIKeyYRRYMHJJTZIRGC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds4

About 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol

1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol (PubChem CID 113290123) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
PubChem CID113290123
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
SMILESCC1OCCC1NCC(C)(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11-13(8-9-17-11)15-10-14(2,16)12-6-4-3-5-7-12/h3-7,11,13,15-16H,8-10H2,1-2H3
InChIKeyYRRYMHJJTZIRGC-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115751394
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol
CID 109379493
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
2-amino-N-(2-methyloxolan-3-yl)-2-phenylpropanamide
CID 82729111
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 111466864
2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol
CID 82725348

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol (CID 113290123) is 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol is CC1OCCC1NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol?
The InChIKey is YRRYMHJJTZIRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-13(8-9-17-11)15-10-14(2,16)12-6-4-3-5-7-12/h3-7,11,13,15-16H,8-10H2,1-2H3.
What are the key properties of 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol?
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 113290123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).