N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine

C23H31NO2 — CID 17054688

IUPACN-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
SMILESCCOc1cccc(CNC2CCCCC2)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H31NO2/c1-3-25-22-11-7-8-20(16-24-21-9-5-4-6-10-21)23(22)26-17-19-14-12-18(2)13-15-19/h7-8,11-15,21,24H,3-6,9-10,16-17H2,1-2H3
InChIKeyNFFSYBGDOCUVOD-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.40
Rot. Bonds8

About N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine

N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine (PubChem CID 17054688) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
PubChem CID17054688
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
SMILESCCOc1cccc(CNC2CCCCC2)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H31NO2/c1-3-25-22-11-7-8-20(16-24-21-9-5-4-6-10-21)23(22)26-17-19-14-12-18(2)13-15-19/h7-8,11-15,21,24H,3-6,9-10,16-17H2,1-2H3
InChIKeyNFFSYBGDOCUVOD-UHFFFAOYSA-N
XLogP5.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 66532982
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159369
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17054761
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 6472106
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
2-[2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17054772
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 66532962

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine (CID 17054688) is N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine is CCOc1cccc(CNC2CCCCC2)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
The InChIKey is NFFSYBGDOCUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-25-22-11-7-8-20(16-24-21-9-5-4-6-10-21)23(22)26-17-19-14-12-18(2)13-15-19/h7-8,11-15,21,24H,3-6,9-10,16-17H2,1-2H3.
What are the key properties of N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine?
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine has a molecular weight of 353.51 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 17054688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).