1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

C17H27NO2 — CID 58027558

IUPAC1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3
InChIKeyZUJMXLRQVDCTHJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds7

About 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol (PubChem CID 58027558) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
PubChem CID58027558
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3
InChIKeyZUJMXLRQVDCTHJ-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol?
The IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol (CID 58027558) is 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol is CNCCC(O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol?
The InChIKey is ZUJMXLRQVDCTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol?
1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol is sourced from PubChem (CID 58027558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).