2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine

C21H29NO3 — CID 20992244

IUPAC2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C21H29NO3/c1-15(2)18-7-5-16(3)13-20(18)24-11-12-25-21-14-17(9-10-22)6-8-19(21)23-4/h5-8,13-15H,9-12,22H2,1-4H3
InChIKeyZTTGOGSPBXWEEG-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.09
Rot. Bonds9

About 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine

2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 20992244) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID20992244
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C21H29NO3/c1-15(2)18-7-5-16(3)13-20(18)24-11-12-25-21-14-17(9-10-22)6-8-19(21)23-4/h5-8,13-15H,9-12,22H2,1-4H3
InChIKeyZTTGOGSPBXWEEG-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

2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 2293480
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22682627
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine (CID 20992244) is 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine is COc1ccc(CCN)cc1OCCOc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is ZTTGOGSPBXWEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-15(2)18-7-5-16(3)13-20(18)24-11-12-25-21-14-17(9-10-22)6-8-19(21)23-4/h5-8,13-15H,9-12,22H2,1-4H3.
What are the key properties of 2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine?
2-[4-methoxy-3-[2-(5-methyl-2-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-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 20992244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).