N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine

C25H33NO2 — CID 155434431

IUPACN-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine
SMILESCN(C1CCC(Oc2ccccc2)CC1)C1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C25H33NO2/c1-26(20-12-16-24(17-13-20)27-22-8-4-2-5-9-22)21-14-18-25(19-15-21)28-23-10-6-3-7-11-23/h2-11,20-21,24-25H,12-19H2,1H3
InChIKeyYTVZVAFIHLAWTE-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.70
Rot. Bonds6

About N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine

N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine (PubChem CID 155434431) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine
PubChem CID155434431
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine
SMILESCN(C1CCC(Oc2ccccc2)CC1)C1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C25H33NO2/c1-26(20-12-16-24(17-13-20)27-22-8-4-2-5-9-22)21-14-18-25(19-15-21)28-23-10-6-3-7-11-23/h2-11,20-21,24-25H,12-19H2,1H3
InChIKeyYTVZVAFIHLAWTE-UHFFFAOYSA-N
XLogP5.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine (CID 155434431) is N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine is CN(C1CCC(Oc2ccccc2)CC1)C1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine?
The InChIKey is YTVZVAFIHLAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-26(20-12-16-24(17-13-20)27-22-8-4-2-5-9-22)21-14-18-25(19-15-21)28-23-10-6-3-7-11-23/h2-11,20-21,24-25H,12-19H2,1H3.
What are the key properties of N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine?
N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine has a molecular weight of 379.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 155434431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).