1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine

C15H25NO2 — CID 112591165

IUPAC1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-12(16)11-13-7-5-6-8-14(13)17-9-10-18-15(2,3)4/h5-8,12H,9-11,16H2,1-4H3
InChIKeyRGEPBIRUBKRZRY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds6

About 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine

1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine (PubChem CID 112591165) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
PubChem CID112591165
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-12(16)11-13-7-5-6-8-14(13)17-9-10-18-15(2,3)4/h5-8,12H,9-11,16H2,1-4H3
InChIKeyRGEPBIRUBKRZRY-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
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

(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine (CID 112591165) is 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine is CC(N)Cc1ccccc1OCCOC(C)(C)C.
What is the InChIKey of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine?
The InChIKey is RGEPBIRUBKRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(16)11-13-7-5-6-8-14(13)17-9-10-18-15(2,3)4/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine?
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 112591165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).