2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone

C16H23NO — CID 117365945

IUPAC2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
SMILESCC1(C)CCC(c2cccc(C(=O)CN)c2)CC1
InChIInChI=1S/C16H23NO/c1-16(2)8-6-12(7-9-16)13-4-3-5-14(10-13)15(18)11-17/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyFIFVMZXDVDBMSU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds3

About 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone

2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone (PubChem CID 117365945) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
PubChem CID117365945
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
SMILESCC1(C)CCC(c2cccc(C(=O)CN)c2)CC1
InChIInChI=1S/C16H23NO/c1-16(2)8-6-12(7-9-16)13-4-3-5-14(10-13)15(18)11-17/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyFIFVMZXDVDBMSU-UHFFFAOYSA-N
XLogP3.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-1-(2-methylphenyl)ethan-1-one hydrochloride
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2-(Dimethylamino)-1-(4-phenylphenyl)ethanone
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(E)-3-amino-2-fluoro-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-one
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Phenacylazanium;chloride
CID 21641
3-Amino-1,2-diphenylpropan-1-one--hydrogen chloride (1/1)
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2-Amino-1-((1,1'-biphenyl)-4-yl)ethan-1-one hydrochloride
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2-Amino-1-(4-methylphenyl)ethan-1-one hydrochloride
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2-Amino-1-phenylpentan-1-one hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone (CID 117365945) is 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone is CC1(C)CCC(c2cccc(C(=O)CN)c2)CC1.
What is the InChIKey of 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone?
The InChIKey is FIFVMZXDVDBMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)8-6-12(7-9-16)13-4-3-5-14(10-13)15(18)11-17/h3-5,10,12H,6-9,11,17H2,1-2H3.
What are the key properties of 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone?
2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone is sourced from PubChem (CID 117365945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).