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

C20H27NO3 — CID 22681321

IUPAC[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)c(OCCOc2ccc(C(C)C)c(C)c2)c1
InChIInChI=1S/C20H27NO3/c1-14(2)19-8-7-18(11-15(19)3)23-9-10-24-20-12-17(22-4)6-5-16(20)13-21/h5-8,11-12,14H,9-10,13,21H2,1-4H3
InChIKeyXGGBZGDJSOIPRW-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.04
Rot. Bonds8

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

[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 22681321) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
PubChem CID22681321
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)c(OCCOc2ccc(C(C)C)c(C)c2)c1
InChIInChI=1S/C20H27NO3/c1-14(2)19-8-7-18(11-15(19)3)23-9-10-24-20-12-17(22-4)6-5-16(20)13-21/h5-8,11-12,14H,9-10,13,21H2,1-4H3
InChIKeyXGGBZGDJSOIPRW-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

2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22687249
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 62543773
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 22680521
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine (CID 22681321) is [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine is COc1ccc(CN)c(OCCOc2ccc(C(C)C)c(C)c2)c1.
What is the InChIKey of [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is XGGBZGDJSOIPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14(2)19-8-7-18(11-15(19)3)23-9-10-24-20-12-17(22-4)6-5-16(20)13-21/h5-8,11-12,14H,9-10,13,21H2,1-4H3.
What are the key properties of [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine?
[4-methoxy-2-[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 [4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 22681321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).