1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine

C15H25NO2 — CID 105035367

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
SMILESCOCCOc1ccccc1C(N)C(C)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)12(3)15(16)13-7-5-6-8-14(13)18-10-9-17-4/h5-8,11-12,15H,9-10,16H2,1-4H3
InChIKeyAZSOABBPHUDKGN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.00
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine

1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine (PubChem CID 105035367) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
PubChem CID105035367
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
SMILESCOCCOc1ccccc1C(N)C(C)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)12(3)15(16)13-7-5-6-8-14(13)18-10-9-17-4/h5-8,11-12,15H,9-10,16H2,1-4H3
InChIKeyAZSOABBPHUDKGN-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443551
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine (CID 105035367) is 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine is COCCOc1ccccc1C(N)C(C)C(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine?
The InChIKey is AZSOABBPHUDKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)12(3)15(16)13-7-5-6-8-14(13)18-10-9-17-4/h5-8,11-12,15H,9-10,16H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 105035367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).