1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one

C15H21NO2 — CID 25127473

IUPAC1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-15(17)12-6-8-13(9-7-12)16-11-14-5-3-10-18-14/h6-9,14,16H,2-5,10-11H2,1H3/t14-/m1/s1
InChIKeyZVBIINMGCNKQHU-CQSZACIVSA-N
MW247.34 g/mol
LogP3.26
Rot. Bonds6

About 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one

1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one (PubChem CID 25127473) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
PubChem CID25127473
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-15(17)12-6-8-13(9-7-12)16-11-14-5-3-10-18-14/h6-9,14,16H,2-5,10-11H2,1H3/t14-/m1/s1
InChIKeyZVBIINMGCNKQHU-CQSZACIVSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one?
The IUPAC name of 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one (CID 25127473) is 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one is CCCC(=O)c1ccc(NC[C@H]2CCCO2)cc1.
What is the InChIKey of 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one?
The InChIKey is ZVBIINMGCNKQHU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-15(17)12-6-8-13(9-7-12)16-11-14-5-3-10-18-14/h6-9,14,16H,2-5,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one?
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one is sourced from PubChem (CID 25127473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).