2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine

C14H23NO3 — CID 54958174

IUPAC2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCOC(C)C
InChIInChI=1S/C14H23NO3/c1-11(2)17-8-9-18-13-5-4-12(6-7-15)10-14(13)16-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyISTZZNRTSUTFCO-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.00
Rot. Bonds8

About 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine

2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine (PubChem CID 54958174) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
PubChem CID54958174
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCOC(C)C
InChIInChI=1S/C14H23NO3/c1-11(2)17-8-9-18-13-5-4-12(6-7-15)10-14(13)16-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyISTZZNRTSUTFCO-UHFFFAOYSA-N
XLogP2.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.00
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-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20992244
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
CID 91159456
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine (CID 54958174) is 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine is COc1cc(CCN)ccc1OCCOC(C)C.
What is the InChIKey of 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
The InChIKey is ISTZZNRTSUTFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)17-8-9-18-13-5-4-12(6-7-15)10-14(13)16-3/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine?
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 54958174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).