1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine

C15H25NO — CID 55200535

IUPAC1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
SMILESCc1ccc(OCCC(C)C)c(CC(C)N)c1
InChIInChI=1S/C15H25NO/c1-11(2)7-8-17-15-6-5-12(3)9-14(15)10-13(4)16/h5-6,9,11,13H,7-8,10,16H2,1-4H3
InChIKeyRHXQEGJJNCHMAD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds6

About 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine

1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine (PubChem CID 55200535) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
PubChem CID55200535
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
SMILESCc1ccc(OCCC(C)C)c(CC(C)N)c1
InChIInChI=1S/C15H25NO/c1-11(2)7-8-17-15-6-5-12(3)9-14(15)10-13(4)16/h5-6,9,11,13H,7-8,10,16H2,1-4H3
InChIKeyRHXQEGJJNCHMAD-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
1-[5-methyl-2-(3-methylsulfonylpropoxy)phenyl]propan-2-amine
CID 63326330
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63325862
1-(5-methyl-2-prop-2-ynoxyphenyl)propan-2-amine
CID 63326075
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine (CID 55200535) is 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine is Cc1ccc(OCCC(C)C)c(CC(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine?
The InChIKey is RHXQEGJJNCHMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)7-8-17-15-6-5-12(3)9-14(15)10-13(4)16/h5-6,9,11,13H,7-8,10,16H2,1-4H3.
What are the key properties of 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine?
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 55200535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).