5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine

C24H27NO2 — CID 118528022

IUPAC5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
SMILESNCCCCC(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c25-18-8-7-13-24(21-11-5-2-6-12-21)27-23-16-14-22(15-17-23)26-19-20-9-3-1-4-10-20/h1-6,9-12,14-17,24H,7-8,13,18-19,25H2
InChIKeyZLBOECZNQDUEOB-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.51
Rot. Bonds10

About 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine

5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine (PubChem CID 118528022) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine.

Molecular Properties

Compound Name5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
PubChem CID118528022
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
SMILESNCCCCC(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c25-18-8-7-13-24(21-11-5-2-6-12-21)27-23-16-14-22(15-17-23)26-19-20-9-3-1-4-10-20/h1-6,9-12,14-17,24H,7-8,13,18-19,25H2
InChIKeyZLBOECZNQDUEOB-UHFFFAOYSA-N
XLogP5.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine?
The IUPAC name of 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine (CID 118528022) is 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine.
What is the SMILES notation for 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine?
The canonical SMILES for 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine is NCCCCC(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine?
The InChIKey is ZLBOECZNQDUEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c25-18-8-7-13-24(21-11-5-2-6-12-21)27-23-16-14-22(15-17-23)26-19-20-9-3-1-4-10-20/h1-6,9-12,14-17,24H,7-8,13,18-19,25H2.
What are the key properties of 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine?
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine has a molecular weight of 361.49 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine is sourced from PubChem (CID 118528022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).