4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine

C15H25NO3 — CID 118279248

IUPAC4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
SMILESCOCCCOc1cc(CCC(C)N)ccc1OC
InChIInChI=1S/C15H25NO3/c1-12(16)5-6-13-7-8-14(18-3)15(11-13)19-10-4-9-17-2/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyAQCBTMAUQJXQIO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds9

About 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine

4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine (PubChem CID 118279248) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
PubChem CID118279248
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
SMILESCOCCCOc1cc(CCC(C)N)ccc1OC
InChIInChI=1S/C15H25NO3/c1-12(16)5-6-13-7-8-14(18-3)15(11-13)19-10-4-9-17-2/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyAQCBTMAUQJXQIO-UHFFFAOYSA-N
XLogP2.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 141057465
ethane;methyl 3-amino-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]butanoate
CID 145356356
1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
CID 135313299
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 154511678
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
CID 11325823
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
CID 125466518
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine (CID 118279248) is 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine is COCCCOc1cc(CCC(C)N)ccc1OC.
What is the InChIKey of 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine?
The InChIKey is AQCBTMAUQJXQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(16)5-6-13-7-8-14(18-3)15(11-13)19-10-4-9-17-2/h7-8,11-12H,4-6,9-10,16H2,1-3H3.
What are the key properties of 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine?
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine is sourced from PubChem (CID 118279248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).