1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one

C16H23NO2 — CID 114065864

IUPAC1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-3-15(18)13-6-8-14(9-7-13)17(2)12-16(19)10-4-5-11-16/h6-9,19H,3-5,10-12H2,1-2H3
InChIKeyNHGFZPMQWJNAGD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds5

About 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one

1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one (PubChem CID 114065864) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
PubChem CID114065864
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-3-15(18)13-6-8-14(9-7-13)17(2)12-16(19)10-4-5-11-16/h6-9,19H,3-5,10-12H2,1-2H3
InChIKeyNHGFZPMQWJNAGD-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
CID 142257739
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 114952048
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
4-[(3-hydroxyazetidin-3-yl)methyl-methylamino]benzoic acid
CID 67370931
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylbenzonitrile
CID 114949288
1-[[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950286
5-[(1-hydroxycyclopentyl)methyl-methylamino]-2-nitrobenzoic acid
CID 114949869
tert-butyl 4-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]benzoate
CID 67372026
1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985411
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-(trifluoromethyl)benzaldehyde
CID 114950069
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylbenzoic acid
CID 114949896

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one (CID 114065864) is 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one is CCC(=O)c1ccc(N(C)CC2(O)CCCC2)cc1.
What is the InChIKey of 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one?
The InChIKey is NHGFZPMQWJNAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(18)13-6-8-14(9-7-13)17(2)12-16(19)10-4-5-11-16/h6-9,19H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one?
1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one is sourced from PubChem (CID 114065864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).