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

C21H29NO3 — CID 22683857

IUPAC2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCCOc2ccc(C(C)C)c(C)c2)c1
InChIInChI=1S/C21H29NO3/c1-15(2)20-8-7-19(13-16(20)3)24-11-12-25-21-14-18(23-4)6-5-17(21)9-10-22/h5-8,13-15H,9-12,22H2,1-4H3
InChIKeyJNLNUEJBITZDCA-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.09
Rot. Bonds9

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

2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22683857) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22683857
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCCOc2ccc(C(C)C)c(C)c2)c1
InChIInChI=1S/C21H29NO3/c1-15(2)20-8-7-19(13-16(20)3)24-11-12-25-21-14-18(23-4)6-5-17(21)9-10-22/h5-8,13-15H,9-12,22H2,1-4H3
InChIKeyJNLNUEJBITZDCA-UHFFFAOYSA-N
XLogP4.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.09
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-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22687249
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine
CID 82054124

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine (CID 22683857) is 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine is COc1ccc(CCN)c(OCCOc2ccc(C(C)C)c(C)c2)c1.
What is the InChIKey of 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is JNLNUEJBITZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-15(2)20-8-7-19(13-16(20)3)24-11-12-25-21-14-18(23-4)6-5-17(21)9-10-22/h5-8,13-15H,9-12,22H2,1-4H3.
What are the key properties of 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 343.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22683857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).