2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one

C15H21NO2 — CID 62613008

IUPAC2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
SMILESCN(CC1CCCCCC1=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO2/c1-16(13-7-9-14(17)10-8-13)11-12-5-3-2-4-6-15(12)18/h7-10,12,17H,2-6,11H2,1H3
InChIKeyUCLUNUAJFTUSDF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.98
Rot. Bonds3

About 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one

2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one (PubChem CID 62613008) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
PubChem CID62613008
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
SMILESCN(CC1CCCCCC1=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO2/c1-16(13-7-9-14(17)10-8-13)11-12-5-3-2-4-6-15(12)18/h7-10,12,17H,2-6,11H2,1H3
InChIKeyUCLUNUAJFTUSDF-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one
CID 102636930
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
CID 62611884
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
CID 63701207
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cycloheptan-1-one
CID 63864349
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369
2-(hydroxymethyl)cycloheptan-1-one
CID 13140470
2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
CID 62613017

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one?
The IUPAC name of 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one (CID 62613008) is 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one is CN(CC1CCCCCC1=O)c1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one?
The InChIKey is UCLUNUAJFTUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(13-7-9-14(17)10-8-13)11-12-5-3-2-4-6-15(12)18/h7-10,12,17H,2-6,11H2,1H3.
What are the key properties of 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one?
2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one is sourced from PubChem (CID 62613008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).