1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone

C15H21NO2 — CID 114949916

IUPAC1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C15H21NO2/c1-12(17)13-7-3-4-8-14(13)16(2)11-15(18)9-5-6-10-15/h3-4,7-8,18H,5-6,9-11H2,1-2H3
InChIKeyREUBSFDEAXASRH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone

1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone (PubChem CID 114949916) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
PubChem CID114949916
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C15H21NO2/c1-12(17)13-7-3-4-8-14(13)16(2)11-15(18)9-5-6-10-15/h3-4,7-8,18H,5-6,9-11H2,1-2H3
InChIKeyREUBSFDEAXASRH-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
1-[[2-(ethylaminomethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950572
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 55005375
4-acetyl-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzonitrile
CID 114949947

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone (CID 114949916) is 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone is CC(=O)c1ccccc1N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone?
The InChIKey is REUBSFDEAXASRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)13-7-3-4-8-14(13)16(2)11-15(18)9-5-6-10-15/h3-4,7-8,18H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone?
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 114949916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).