3-amino-1-(3-cycloheptylphenyl)propan-1-one

C16H23NO — CID 117365936

IUPAC3-amino-1-(3-cycloheptylphenyl)propan-1-one
SMILESNCCC(=O)c1cccc(C2CCCCCC2)c1
InChIInChI=1S/C16H23NO/c17-11-10-16(18)15-9-5-8-14(12-15)13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11,17H2
InChIKeyJDHMHDUVXLXIMU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.66
Rot. Bonds4

About 3-amino-1-(3-cycloheptylphenyl)propan-1-one

3-amino-1-(3-cycloheptylphenyl)propan-1-one (PubChem CID 117365936) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-amino-1-(3-cycloheptylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-cycloheptylphenyl)propan-1-one
PubChem CID117365936
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-amino-1-(3-cycloheptylphenyl)propan-1-one
SMILESNCCC(=O)c1cccc(C2CCCCCC2)c1
InChIInChI=1S/C16H23NO/c17-11-10-16(18)15-9-5-8-14(12-15)13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11,17H2
InChIKeyJDHMHDUVXLXIMU-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
3-amino-1-[3-(oxan-4-yl)phenyl]propan-1-one
CID 117338436
3-amino-1-[3-(thietan-3-yl)phenyl]propan-1-one
CID 117316972
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
CID 114607490
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
methyl 3-cyclohexylbenzoate
CID 67160762
2-amino-1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
CID 117365945
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
3-amino-1-[3-(cyclohexylmethylsulfinyl)phenyl]propan-1-one
CID 59280882
2-(4-aminopiperidin-1-yl)-1-(3-cyclobutylphenyl)ethanone
CID 114607681
propyl 4-(3-cyclopropylphenyl)-4-oxobutanoate
CID 79979795

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cycloheptylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-cycloheptylphenyl)propan-1-one (CID 117365936) is 3-amino-1-(3-cycloheptylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-cycloheptylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-cycloheptylphenyl)propan-1-one is NCCC(=O)c1cccc(C2CCCCCC2)c1.
What is the InChIKey of 3-amino-1-(3-cycloheptylphenyl)propan-1-one?
The InChIKey is JDHMHDUVXLXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-11-10-16(18)15-9-5-8-14(12-15)13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11,17H2.
What are the key properties of 3-amino-1-(3-cycloheptylphenyl)propan-1-one?
3-amino-1-(3-cycloheptylphenyl)propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cycloheptylphenyl)propan-1-one is sourced from PubChem (CID 117365936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).