N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine

C23H30ClNO3 — CID 166177028

IUPACN-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine
SMILESClc1ccc(COc2ccc(OCCOCCNC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30ClNO3/c24-20-8-6-19(7-9-20)18-28-23-12-10-22(11-13-23)27-17-16-26-15-14-25-21-4-2-1-3-5-21/h6-13,21,25H,1-5,14-18H2
InChIKeyRKTLOUYERGLRCM-UHFFFAOYSA-N
MW403.95 g/mol
LogP5.24
Rot. Bonds11

About N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine

N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine (PubChem CID 166177028) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine
PubChem CID166177028
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC NameN-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine
SMILESClc1ccc(COc2ccc(OCCOCCNC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H30ClNO3/c24-20-8-6-19(7-9-20)18-28-23-12-10-22(11-13-23)27-17-16-26-15-14-25-21-4-2-1-3-5-21/h6-13,21,25H,1-5,14-18H2
InChIKeyRKTLOUYERGLRCM-UHFFFAOYSA-N
XLogP5.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.95
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine (CID 166177028) is N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine is Clc1ccc(COc2ccc(OCCOCCNC3CCCCC3)cc2)cc1.
What is the InChIKey of N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine?
The InChIKey is RKTLOUYERGLRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO3/c24-20-8-6-19(7-9-20)18-28-23-12-10-22(11-13-23)27-17-16-26-15-14-25-21-4-2-1-3-5-21/h6-13,21,25H,1-5,14-18H2.
What are the key properties of N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine?
N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine has a molecular weight of 403.95 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[(4-chlorophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclohexanamine is sourced from PubChem (CID 166177028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).