3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine

C13H21NO3 — CID 170879181

IUPAC3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
SMILESCOCCOc1ccc(CCCN)cc1OC
InChIInChI=1S/C13H21NO3/c1-15-8-9-17-12-6-5-11(4-3-7-14)10-13(12)16-2/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyUBNRVEIVMDTOMA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds8

About 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine

3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine (PubChem CID 170879181) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
PubChem CID170879181
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
SMILESCOCCOc1ccc(CCCN)cc1OC
InChIInChI=1S/C13H21NO3/c1-15-8-9-17-12-6-5-11(4-3-7-14)10-13(12)16-2/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyUBNRVEIVMDTOMA-UHFFFAOYSA-N
XLogP1.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 82186044
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine (CID 170879181) is 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine is COCCOc1ccc(CCCN)cc1OC.
What is the InChIKey of 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine?
The InChIKey is UBNRVEIVMDTOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-8-9-17-12-6-5-11(4-3-7-14)10-13(12)16-2/h5-6,10H,3-4,7-9,14H2,1-2H3.
What are the key properties of 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine?
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170879181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).