4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol

C19H25NO2 — CID 111825010

IUPAC4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol
SMILESCOCC(C)(CCO)NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-19(11-12-21,15-22-2)20-14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13,20-21H,11-12,14-15H2,1-2H3
InChIKeyGEOKHWYYYCNXGL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.23
Rot. Bonds8

About 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol

4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol (PubChem CID 111825010) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol
PubChem CID111825010
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol
SMILESCOCC(C)(CCO)NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-19(11-12-21,15-22-2)20-14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13,20-21H,11-12,14-15H2,1-2H3
InChIKeyGEOKHWYYYCNXGL-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol
CID 111860090
3-[(2,4-dimethylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824927
3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
CID 111824960
(3S)-3-[(2-bromo-4-methylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 97326368
3-[(2,5-dichloro-4-methoxyphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 109379821
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824895
(3S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
CID 97086982
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110002893
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol (CID 111825010) is 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol is COCC(C)(CCO)NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol?
The InChIKey is GEOKHWYYYCNXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(11-12-21,15-22-2)20-14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13,20-21H,11-12,14-15H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol?
4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 111825010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).