2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one

C15H20ClNO — CID 62614573

IUPAC2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(Cc1ccccc1Cl)CC1CCCCC1=O
InChIInChI=1S/C15H20ClNO/c1-17(10-12-6-2-4-8-14(12)16)11-13-7-3-5-9-15(13)18/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyJYJYSTVPHYXQAL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.53
Rot. Bonds4

About 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one

2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 62614573) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
PubChem CID62614573
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(Cc1ccccc1Cl)CC1CCCCC1=O
InChIInChI=1S/C15H20ClNO/c1-17(10-12-6-2-4-8-14(12)16)11-13-7-3-5-9-15(13)18/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyJYJYSTVPHYXQAL-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-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-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62616864
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
CID 63701207
(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one
CID 96535670
2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79541000

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one (CID 62614573) is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one is CN(Cc1ccccc1Cl)CC1CCCCC1=O.
What is the InChIKey of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is JYJYSTVPHYXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17(10-12-6-2-4-8-14(12)16)11-13-7-3-5-9-15(13)18/h2,4,6,8,13H,3,5,7,9-11H2,1H3.
What are the key properties of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 265.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62614573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).