3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one

C16H23NO3 — CID 168838033

IUPAC3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(OCC2CCC(O)CC2)c1
InChIInChI=1S/C16H23NO3/c17-9-8-16(19)13-2-1-3-15(10-13)20-11-12-4-6-14(18)7-5-12/h1-3,10,12,14,18H,4-9,11,17H2
InChIKeyRMHOHHGRBYMDOX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one

3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one (PubChem CID 168838033) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one
PubChem CID168838033
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(OCC2CCC(O)CC2)c1
InChIInChI=1S/C16H23NO3/c17-9-8-16(19)13-2-1-3-15(10-13)20-11-12-4-6-14(18)7-5-12/h1-3,10,12,14,18H,4-9,11,17H2
InChIKeyRMHOHHGRBYMDOX-UHFFFAOYSA-N
XLogP2.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one (CID 168838033) is 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one is NCCC(=O)c1cccc(OCC2CCC(O)CC2)c1.
What is the InChIKey of 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one?
The InChIKey is RMHOHHGRBYMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c17-9-8-16(19)13-2-1-3-15(10-13)20-11-12-4-6-14(18)7-5-12/h1-3,10,12,14,18H,4-9,11,17H2.
What are the key properties of 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one?
3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 168838033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).