1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine

C15H25NO2 — CID 82354088

IUPAC1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
SMILESCc1cccc(OCCCOCC(C)(C)N)c1C
InChIInChI=1S/C15H25NO2/c1-12-7-5-8-14(13(12)2)18-10-6-9-17-11-15(3,4)16/h5,7-8H,6,9-11,16H2,1-4H3
InChIKeyRPBADSDTPIYSKW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.83
Rot. Bonds7

About 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine

1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine (PubChem CID 82354088) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
PubChem CID82354088
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
SMILESCc1cccc(OCCCOCC(C)(C)N)c1C
InChIInChI=1S/C15H25NO2/c1-12-7-5-8-14(13(12)2)18-10-6-9-17-11-15(3,4)16/h5,7-8H,6,9-11,16H2,1-4H3
InChIKeyRPBADSDTPIYSKW-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-[3-(2,3-dimethylphenoxy)propoxy]butan-2-amine
CID 82353715
1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 113226849
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354110
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354090
5-(2,3-dimethylphenoxy)-2,2-dimethylpentanethioamide
CID 65259761
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine (CID 82354088) is 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine is Cc1cccc(OCCCOCC(C)(C)N)c1C.
What is the InChIKey of 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
The InChIKey is RPBADSDTPIYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-7-5-8-14(13(12)2)18-10-6-9-17-11-15(3,4)16/h5,7-8H,6,9-11,16H2,1-4H3.
What are the key properties of 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 82354088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).