1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine

C13H21NO — CID 43184504

IUPAC1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
SMILESCc1ccc(C(N)COC(C)C)cc1C
InChIInChI=1S/C13H21NO/c1-9(2)15-8-13(14)12-6-5-10(3)11(4)7-12/h5-7,9,13H,8,14H2,1-4H3
InChIKeyUCMLBXZMTAQCGO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.73
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine

1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine (PubChem CID 43184504) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
PubChem CID43184504
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
SMILESCc1ccc(C(N)COC(C)C)cc1C
InChIInChI=1S/C13H21NO/c1-9(2)15-8-13(14)12-6-5-10(3)11(4)7-12/h5-7,9,13H,8,14H2,1-4H3
InChIKeyUCMLBXZMTAQCGO-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365
1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587392
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine
CID 43364252

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine (CID 43184504) is 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine is Cc1ccc(C(N)COC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine?
The InChIKey is UCMLBXZMTAQCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)15-8-13(14)12-6-5-10(3)11(4)7-12/h5-7,9,13H,8,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine?
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 43184504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).