8-(4-phenylmethoxyphenoxy)octan-1-amine

C21H29NO2 — CID 16720538

IUPAC8-(4-phenylmethoxyphenoxy)octan-1-amine
SMILESNCCCCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2/c22-16-8-3-1-2-4-9-17-23-20-12-14-21(15-13-20)24-18-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-18,22H2
InChIKeyAUTKDJUWPFRNNU-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.94
Rot. Bonds12

About 8-(4-phenylmethoxyphenoxy)octan-1-amine

8-(4-phenylmethoxyphenoxy)octan-1-amine (PubChem CID 16720538) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 8-(4-phenylmethoxyphenoxy)octan-1-amine.

Molecular Properties

Compound Name8-(4-phenylmethoxyphenoxy)octan-1-amine
PubChem CID16720538
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name8-(4-phenylmethoxyphenoxy)octan-1-amine
SMILESNCCCCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2/c22-16-8-3-1-2-4-9-17-23-20-12-14-21(15-13-20)24-18-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-18,22H2
InChIKeyAUTKDJUWPFRNNU-UHFFFAOYSA-N
XLogP4.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.94
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

1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
8-(4-phenylmethoxyphenoxy)octylazanium
CID 142204754
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
1-(5-bromopentoxy)-4-phenylmethoxybenzene;1-(3-bromopropoxy)-4-phenylmethoxybenzene
CID 158329234
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
CID 118528022

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylmethoxyphenoxy)octan-1-amine?
The IUPAC name of 8-(4-phenylmethoxyphenoxy)octan-1-amine (CID 16720538) is 8-(4-phenylmethoxyphenoxy)octan-1-amine.
What is the SMILES notation for 8-(4-phenylmethoxyphenoxy)octan-1-amine?
The canonical SMILES for 8-(4-phenylmethoxyphenoxy)octan-1-amine is NCCCCCCCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 8-(4-phenylmethoxyphenoxy)octan-1-amine?
The InChIKey is AUTKDJUWPFRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c22-16-8-3-1-2-4-9-17-23-20-12-14-21(15-13-20)24-18-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-18,22H2.
What are the key properties of 8-(4-phenylmethoxyphenoxy)octan-1-amine?
8-(4-phenylmethoxyphenoxy)octan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.94, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylmethoxyphenoxy)octan-1-amine is sourced from PubChem (CID 16720538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).