1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine

C15H25NO2 — CID 82354090

IUPAC1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
SMILESCc1ccc(OCCCOCC(C)(C)N)cc1C
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(10-13(12)2)18-9-5-8-17-11-15(3,4)16/h6-7,10H,5,8-9,11,16H2,1-4H3
InChIKeyGIABXVXGTIVBLE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.83
Rot. Bonds7

About 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine

1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine (PubChem CID 82354090) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
PubChem CID82354090
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
SMILESCc1ccc(OCCCOCC(C)(C)N)cc1C
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(10-13(12)2)18-9-5-8-17-11-15(3,4)16/h6-7,10H,5,8-9,11,16H2,1-4H3
InChIKeyGIABXVXGTIVBLE-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

4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
4-[2-(6-bromohexoxy)ethoxy]-1,2-dimethylbenzene
CID 23045318
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354110
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
1-[2-(4-bromophenoxy)ethoxy]-2-methylpropan-2-amine
CID 64537776
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine (CID 82354090) is 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine is Cc1ccc(OCCCOCC(C)(C)N)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
The InChIKey is GIABXVXGTIVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-7-14(10-13(12)2)18-9-5-8-17-11-15(3,4)16/h6-7,10H,5,8-9,11,16H2,1-4H3.
What are the key properties of 1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine?
1-[3-(3,4-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-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 82354090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).