4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine

C15H25NO — CID 113473075

IUPAC4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCOCC(C)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)16-10-15(13(3)11-17-4)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3
InChIKeyVICPPTBOZBNLLC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds7

About 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine

4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine (PubChem CID 113473075) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine
PubChem CID113473075
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCOCC(C)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)16-10-15(13(3)11-17-4)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3
InChIKeyVICPPTBOZBNLLC-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
4-methoxy-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015723
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62430681
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
CID 103228598
1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 51063228

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine (CID 113473075) is 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine is COCC(C)C(CNC(C)C)c1ccccc1.
What is the InChIKey of 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VICPPTBOZBNLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)16-10-15(13(3)11-17-4)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3.
What are the key properties of 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine?
4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 113473075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).