4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one

C16H23NO — CID 115240273

IUPAC4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
SMILESCN(CCc1ccccc1)CC1CCC(=O)CC1
InChIInChI=1S/C16H23NO/c1-17(12-11-14-5-3-2-4-6-14)13-15-7-9-16(18)10-8-15/h2-6,15H,7-13H2,1H3
InChIKeyKMFHBAOGAYGLHS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.92
Rot. Bonds5

About 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one

4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one (PubChem CID 115240273) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
PubChem CID115240273
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
SMILESCN(CCc1ccccc1)CC1CCC(=O)CC1
InChIInChI=1S/C16H23NO/c1-17(12-11-14-5-3-2-4-6-14)13-15-7-9-16(18)10-8-15/h2-6,15H,7-13H2,1H3
InChIKeyKMFHBAOGAYGLHS-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240285
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240195
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240190
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 80567527
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
CID 65486176
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
CID 79119944
4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]cyclohexan-1-ol
CID 115239951

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one (CID 115240273) is 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one is CN(CCc1ccccc1)CC1CCC(=O)CC1.
What is the InChIKey of 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is KMFHBAOGAYGLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17(12-11-14-5-3-2-4-6-14)13-15-7-9-16(18)10-8-15/h2-6,15H,7-13H2,1H3.
What are the key properties of 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one?
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).