4-methoxy-3-methyl-1-phenylbutan-2-amine

C12H19NO — CID 115625025

IUPAC4-methoxy-3-methyl-1-phenylbutan-2-amine
SMILESCOCC(C)C(N)Cc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(9-14-2)12(13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChIKeyNADNYPFHASHJCR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds5

About 4-methoxy-3-methyl-1-phenylbutan-2-amine

4-methoxy-3-methyl-1-phenylbutan-2-amine (PubChem CID 115625025) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-phenylbutan-2-amine
PubChem CID115625025
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methoxy-3-methyl-1-phenylbutan-2-amine
SMILESCOCC(C)C(N)Cc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(9-14-2)12(13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChIKeyNADNYPFHASHJCR-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenylbutane-1,3-diamine
CID 20848308
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
5-methoxy-1-phenylpentan-2-amine
CID 62608693
azane;1-phenylpropan-2-amine
CID 67350534
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
potassium;1-phenylpropan-2-amine;iodide
CID 70390373

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-phenylbutan-2-amine?
The IUPAC name of 4-methoxy-3-methyl-1-phenylbutan-2-amine (CID 115625025) is 4-methoxy-3-methyl-1-phenylbutan-2-amine.
What is the SMILES notation for 4-methoxy-3-methyl-1-phenylbutan-2-amine?
The canonical SMILES for 4-methoxy-3-methyl-1-phenylbutan-2-amine is COCC(C)C(N)Cc1ccccc1.
What is the InChIKey of 4-methoxy-3-methyl-1-phenylbutan-2-amine?
The InChIKey is NADNYPFHASHJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(9-14-2)12(13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-phenylbutan-2-amine?
4-methoxy-3-methyl-1-phenylbutan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-phenylbutan-2-amine is sourced from PubChem (CID 115625025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).