1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine

C23H32N2O2 — CID 170389273

IUPAC1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine
SMILESCC(N)OCc1cccc(C2(c3cccc(OC(C)N)c3)CCCCC2)c1
InChIInChI=1S/C23H32N2O2/c1-17(24)26-16-19-8-6-9-20(14-19)23(12-4-3-5-13-23)21-10-7-11-22(15-21)27-18(2)25/h6-11,14-15,17-18H,3-5,12-13,16,24-25H2,1-2H3
InChIKeyHBMXYGCPMYNQDS-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.44
Rot. Bonds7

About 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine

1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine (PubChem CID 170389273) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine
PubChem CID170389273
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine
SMILESCC(N)OCc1cccc(C2(c3cccc(OC(C)N)c3)CCCCC2)c1
InChIInChI=1S/C23H32N2O2/c1-17(24)26-16-19-8-6-9-20(14-19)23(12-4-3-5-13-23)21-10-7-11-22(15-21)27-18(2)25/h6-11,14-15,17-18H,3-5,12-13,16,24-25H2,1-2H3
InChIKeyHBMXYGCPMYNQDS-UHFFFAOYSA-N
XLogP4.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine?
The IUPAC name of 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine (CID 170389273) is 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine.
What is the SMILES notation for 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine?
The canonical SMILES for 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine is CC(N)OCc1cccc(C2(c3cccc(OC(C)N)c3)CCCCC2)c1.
What is the InChIKey of 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine?
The InChIKey is HBMXYGCPMYNQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17(24)26-16-19-8-6-9-20(14-19)23(12-4-3-5-13-23)21-10-7-11-22(15-21)27-18(2)25/h6-11,14-15,17-18H,3-5,12-13,16,24-25H2,1-2H3.
What are the key properties of 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine?
1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine has a molecular weight of 368.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-[3-(1-aminoethoxy)phenyl]cyclohexyl]phenyl]methoxy]ethanamine is sourced from PubChem (CID 170389273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).