[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine

C25H29NO3 — CID 22687113

IUPAC[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C25H29NO3/c1-25(2,20-7-5-4-6-8-20)21-10-12-22(13-11-21)28-15-16-29-24-17-19(18-26)9-14-23(24)27-3/h4-14,17H,15-16,18,26H2,1-3H3
InChIKeyOCPSUDWACMUHOL-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.94
Rot. Bonds9

About [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine

[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine (PubChem CID 22687113) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
PubChem CID22687113
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C25H29NO3/c1-25(2,20-7-5-4-6-8-20)21-10-12-22(13-11-21)28-15-16-29-24-17-19(18-26)9-14-23(24)27-3/h4-14,17H,15-16,18,26H2,1-3H3
InChIKeyOCPSUDWACMUHOL-UHFFFAOYSA-N
XLogP4.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.94
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

[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
3-[2-(4-tert-butylphenoxy)ethoxy]-4-methoxybenzoic acid
CID 22683537
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine (CID 22687113) is [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine is COc1ccc(CN)cc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
The InChIKey is OCPSUDWACMUHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-25(2,20-7-5-4-6-8-20)21-10-12-22(13-11-21)28-15-16-29-24-17-19(18-26)9-14-23(24)27-3/h4-14,17H,15-16,18,26H2,1-3H3.
What are the key properties of [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine?
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine has a molecular weight of 391.51 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 22687113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).