3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one

C16H23NO2 — CID 25255403

IUPAC3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2
InChIKeyPLYSOQQPLPMQQX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.18
Rot. Bonds6

About 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one

3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one (PubChem CID 25255403) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one
PubChem CID25255403
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2
InChIKeyPLYSOQQPLPMQQX-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one (CID 25255403) is 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one is NCCC(=O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one?
The InChIKey is PLYSOQQPLPMQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2.
What are the key properties of 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one?
3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-one is sourced from PubChem (CID 25255403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).