1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine

C13H21NO3 — CID 60907501

IUPAC1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
SMILESCOCCOc1c(CC(C)N)cccc1OC
InChIInChI=1S/C13H21NO3/c1-10(14)9-11-5-4-6-12(16-3)13(11)17-8-7-15-2/h4-6,10H,7-9,14H2,1-3H3
InChIKeyZGXQDUBTDDCGIU-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds7

About 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine

1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine (PubChem CID 60907501) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
PubChem CID60907501
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
SMILESCOCCOc1c(CC(C)N)cccc1OC
InChIInChI=1S/C13H21NO3/c1-10(14)9-11-5-4-6-12(16-3)13(11)17-8-7-15-2/h4-6,10H,7-9,14H2,1-3H3
InChIKeyZGXQDUBTDDCGIU-UHFFFAOYSA-N
XLogP1.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.61
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

1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine (CID 60907501) is 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine is COCCOc1c(CC(C)N)cccc1OC.
What is the InChIKey of 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine?
The InChIKey is ZGXQDUBTDDCGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(14)9-11-5-4-6-12(16-3)13(11)17-8-7-15-2/h4-6,10H,7-9,14H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine?
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60907501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).