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

C15H25NO3 — CID 61483304

IUPAC1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCCOC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)18-8-9-19-15-13(10-12(3)16)6-5-7-14(15)17-4/h5-7,11-12H,8-10,16H2,1-4H3
InChIKeyZYMONCXQQXWSBU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds8

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

1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine (PubChem CID 61483304) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
PubChem CID61483304
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCCOC(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)18-8-9-19-15-13(10-12(3)16)6-5-7-14(15)17-4/h5-7,11-12H,8-10,16H2,1-4H3
InChIKeyZYMONCXQQXWSBU-UHFFFAOYSA-N
XLogP2.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
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]butan-2-amine
CID 61483305
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-(bromomethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957915
1-(chloromethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957914
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine (CID 61483304) is 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCCOC(C)C.
What is the InChIKey of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
The InChIKey is ZYMONCXQQXWSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)18-8-9-19-15-13(10-12(3)16)6-5-7-14(15)17-4/h5-7,11-12H,8-10,16H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine?
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.39, 8 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-propan-2-yloxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 61483304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).