[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine

C20H27NO3 — CID 22687249

IUPAC[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C20H27NO3/c1-14(2)18-7-6-17(11-15(18)3)23-9-10-24-19-8-5-16(13-21)12-20(19)22-4/h5-8,11-12,14H,9-10,13,21H2,1-4H3
InChIKeyMZHJURCJXJHUMI-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.04
Rot. Bonds8

About [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine

[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 22687249) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
PubChem CID22687249
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C20H27NO3/c1-14(2)18-7-6-17(11-15(18)3)23-9-10-24-19-8-5-16(13-21)12-20(19)22-4/h5-8,11-12,14H,9-10,13,21H2,1-4H3
InChIKeyMZHJURCJXJHUMI-UHFFFAOYSA-N
XLogP4.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.04
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

[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
3-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 20984163
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine (CID 22687249) is [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine is COc1cc(CN)ccc1OCCOc1ccc(C(C)C)c(C)c1.
What is the InChIKey of [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is MZHJURCJXJHUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14(2)18-7-6-17(11-15(18)3)23-9-10-24-19-8-5-16(13-21)12-20(19)22-4/h5-8,11-12,14H,9-10,13,21H2,1-4H3.
What are the key properties of [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 329.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 22687249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).