2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine

C24H27NO3 — CID 170868663

IUPAC2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCCOc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27NO3/c25-16-15-20-7-9-22(10-8-20)26-17-4-18-27-23-11-13-24(14-12-23)28-19-21-5-2-1-3-6-21/h1-3,5-14H,4,15-19,25H2
InChIKeyZRLHUYFQTGPFNK-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.61
Rot. Bonds11

About 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine

2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine (PubChem CID 170868663) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
PubChem CID170868663
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCCOc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27NO3/c25-16-15-20-7-9-22(10-8-20)26-17-4-18-27-23-11-13-24(14-12-23)28-19-21-5-2-1-3-6-21/h1-3,5-14H,4,15-19,25H2
InChIKeyZRLHUYFQTGPFNK-UHFFFAOYSA-N
XLogP4.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.61
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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Related Compounds

2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
4-phenylmethoxyaniline
CID 159966727
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine (CID 170868663) is 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine is NCCc1ccc(OCCCOc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine?
The InChIKey is ZRLHUYFQTGPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c25-16-15-20-7-9-22(10-8-20)26-17-4-18-27-23-11-13-24(14-12-23)28-19-21-5-2-1-3-6-21/h1-3,5-14H,4,15-19,25H2.
What are the key properties of 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine?
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine has a molecular weight of 377.48 g/mol, XLogP of 4.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 170868663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).