4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one

C14H19NO2 — CID 67610658

IUPAC4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one
SMILESCNCc1ccc(C2CC(O)CCC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-15-9-10-2-4-11(5-3-10)13-8-12(16)6-7-14(13)17/h2-5,12-13,15-16H,6-9H2,1H3
InChIKeyNGOVGAFGIMMZIG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds3

About 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one

4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one (PubChem CID 67610658) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one
PubChem CID67610658
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one
SMILESCNCc1ccc(C2CC(O)CCC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-15-9-10-2-4-11(5-3-10)13-8-12(16)6-7-14(13)17/h2-5,12-13,15-16H,6-9H2,1H3
InChIKeyNGOVGAFGIMMZIG-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-N-(biphenyl-4-ylmethyl)-3-hydroxycyclohexanecarboxamide
CID 91764753
cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide
CID 14875648
N-methyl-(r)a-benzyl-a-aminomethylphenylacetic acid
CID 129700637
4-[(1R,5R)-5-hydroxycyclohex-3-en-1-yl]-N-methylbenzamide
CID 168345406
(2S,3R,6R)-2-(Hydroxymethyl)-3-methyl-6-phenyl-4-piperidinone
CID 11138613
(2R,3S,6S)-2-(hydroxymethyl)-3-methyl-6-phenylpiperidin-4-one
CID 11127779
1-[4-[4-[(But-3-enylamino)methyl]phenyl]phenyl]-9-hydroxynonan-1-one
CID 19742059
1-[5-[4-[[Bis(prop-2-enyl)amino]methyl]phenyl]-2-hydroxycyclohexyl]ethanone
CID 56975416
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
CID 57005149
1-[5-[4-[(Dipropylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
CID 57014885
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]hex-2-en-1-one
CID 57023963
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
CID 57039631

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one?
The IUPAC name of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one (CID 67610658) is 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one is CNCc1ccc(C2CC(O)CCC2=O)cc1.
What is the InChIKey of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one?
The InChIKey is NGOVGAFGIMMZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-10-2-4-11(5-3-10)13-8-12(16)6-7-14(13)17/h2-5,12-13,15-16H,6-9H2,1H3.
What are the key properties of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one?
4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(methylaminomethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 67610658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).