3-amino-1-(2-cycloheptylphenyl)propan-1-one

C16H23NO — CID 117365935

IUPAC3-amino-1-(2-cycloheptylphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1C1CCCCCC1
InChIInChI=1S/C16H23NO/c17-12-11-16(18)15-10-6-5-9-14(15)13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12,17H2
InChIKeyDXLDOTPGMDKSNM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.66
Rot. Bonds4

About 3-amino-1-(2-cycloheptylphenyl)propan-1-one

3-amino-1-(2-cycloheptylphenyl)propan-1-one (PubChem CID 117365935) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-amino-1-(2-cycloheptylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-cycloheptylphenyl)propan-1-one
PubChem CID117365935
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-amino-1-(2-cycloheptylphenyl)propan-1-one
SMILESNCCC(=O)c1ccccc1C1CCCCCC1
InChIInChI=1S/C16H23NO/c17-12-11-16(18)15-10-6-5-9-14(15)13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12,17H2
InChIKeyDXLDOTPGMDKSNM-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

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ethyl 4-(2-cyclopropylphenyl)-4-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cycloheptylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-cycloheptylphenyl)propan-1-one (CID 117365935) is 3-amino-1-(2-cycloheptylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-cycloheptylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-cycloheptylphenyl)propan-1-one is NCCC(=O)c1ccccc1C1CCCCCC1.
What is the InChIKey of 3-amino-1-(2-cycloheptylphenyl)propan-1-one?
The InChIKey is DXLDOTPGMDKSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-12-11-16(18)15-10-6-5-9-14(15)13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12,17H2.
What are the key properties of 3-amino-1-(2-cycloheptylphenyl)propan-1-one?
3-amino-1-(2-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-(2-cycloheptylphenyl)propan-1-one is sourced from PubChem (CID 117365935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).