3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one

C17H25NO2 — CID 114953371

IUPAC3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
SMILESCC(CN(C)CC1(O)CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(16(19)15-8-4-3-5-9-15)12-18(2)13-17(20)10-6-7-11-17/h3-5,8-9,14,20H,6-7,10-13H2,1-2H3
InChIKeyNNRBNOJCQHWNGW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.74
Rot. Bonds6

About 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one

3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one (PubChem CID 114953371) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
PubChem CID114953371
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
SMILESCC(CN(C)CC1(O)CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(16(19)15-8-4-3-5-9-15)12-18(2)13-17(20)10-6-7-11-17/h3-5,8-9,14,20H,6-7,10-13H2,1-2H3
InChIKeyNNRBNOJCQHWNGW-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 408365
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
CID 65860
3-(Dimethylamino)-2-methylpropiophenone hydrochloride
CID 199992
3-(Dimethylamino)-1-(4-hexylphenyl)propan-1-one
CID 3092218
3-(Dimethylamino)-1-(4-heptylphenyl)propan-1-one
CID 21653696
3-(Dibutylamino)-1-(4-hexylphenyl)propan-1-one
CID 23635364
1-Propanone, 2-methyl-1-phenyl-3-(1-piperidinyl)
CID 90769
1-(4-Hexylphenyl)-3-[(2-hydroxyethyl)(methyl)amino]propan-1-one
CID 23635239
2-[(Dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride
CID 16655605
3-(Diethylamino)propiophenone
CID 66749
2-[(Dimethylamino)methyl]-1-phenylbutan-1-one--hydrogen chloride (1/1)
CID 458523
1-(4-Methylphenyl)-2-pyrrolidin-1-yl-methylpentan-1-one
CID 11514441

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one (CID 114953371) is 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one is CC(CN(C)CC1(O)CCCC1)C(=O)c1ccccc1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one?
The InChIKey is NNRBNOJCQHWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(16(19)15-8-4-3-5-9-15)12-18(2)13-17(20)10-6-7-11-17/h3-5,8-9,14,20H,6-7,10-13H2,1-2H3.
What are the key properties of 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one?
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 114953371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).