2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine

C23H33NO3 — CID 20984719

IUPAC2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILESCCc1ccc(OCCOc2ccc(CCN)cc2OC)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO3/c1-6-17-7-9-20(19(15-17)23(2,3)4)26-13-14-27-21-10-8-18(11-12-24)16-22(21)25-5/h7-10,15-16H,6,11-14,24H2,1-5H3
InChIKeyVXSNTQBHGKUIIN-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.51
Rot. Bonds9

About 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine

2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine (PubChem CID 20984719) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
PubChem CID20984719
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILESCCc1ccc(OCCOc2ccc(CCN)cc2OC)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO3/c1-6-17-7-9-20(19(15-17)23(2,3)4)26-13-14-27-21-10-8-18(11-12-24)16-22(21)25-5/h7-10,15-16H,6,11-14,24H2,1-5H3
InChIKeyVXSNTQBHGKUIIN-UHFFFAOYSA-N
XLogP4.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.51
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-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20987975
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
CID 84681003
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine (CID 20984719) is 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine is CCc1ccc(OCCOc2ccc(CCN)cc2OC)c(C(C)(C)C)c1.
What is the InChIKey of 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is VXSNTQBHGKUIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-6-17-7-9-20(19(15-17)23(2,3)4)26-13-14-27-21-10-8-18(11-12-24)16-22(21)25-5/h7-10,15-16H,6,11-14,24H2,1-5H3.
What are the key properties of 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 371.52 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 20984719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).