1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone

C16H23NO — CID 116584625

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)C2CCCCC2CN)c1
InChIInChI=1S/C16H23NO/c1-12-5-4-6-13(9-12)10-16(18)15-8-3-2-7-14(15)11-17/h4-6,9,14-15H,2-3,7-8,10-11,17H2,1H3
InChIKeyNSBHFSRBOOINNJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone (PubChem CID 116584625) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
PubChem CID116584625
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)C2CCCCC2CN)c1
InChIInChI=1S/C16H23NO/c1-12-5-4-6-13(9-12)10-16(18)15-8-3-2-7-14(15)11-17/h4-6,9,14-15H,2-3,7-8,10-11,17H2,1H3
InChIKeyNSBHFSRBOOINNJ-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
1-(2-adamantyl)-2-(3-methylphenyl)ethanone
CID 81099593
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone (CID 116584625) is 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)C2CCCCC2CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone?
The InChIKey is NSBHFSRBOOINNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-4-6-13(9-12)10-16(18)15-8-3-2-7-14(15)11-17/h4-6,9,14-15H,2-3,7-8,10-11,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 116584625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).