4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol

C17H29NO2 — CID 103748411

IUPAC4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCc1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-14(2)11-15-5-7-16(8-6-15)12-18-13-17(3,19)9-10-20-4/h5-8,14,18-19H,9-13H2,1-4H3
InChIKeyBXJOUIHZYLGCIV-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.76
Rot. Bonds9

About 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol

4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol (PubChem CID 103748411) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
PubChem CID103748411
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCc1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-14(2)11-15-5-7-16(8-6-15)12-18-13-17(3,19)9-10-20-4/h5-8,14,18-19H,9-13H2,1-4H3
InChIKeyBXJOUIHZYLGCIV-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol with MolForge

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Related Compounds

2-[4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenoxy]acetonitrile
CID 106249817
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 103270503
2,6-dibromo-4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenol
CID 106250300
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
1-[(3-bromo-5-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164721
6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol
CID 113384066
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180
1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113237042
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
CID 134161141
4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
CID 114164015

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol (CID 103748411) is 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol is COCCC(C)(O)CNCc1ccc(CC(C)C)cc1.
What is the InChIKey of 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol?
The InChIKey is BXJOUIHZYLGCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)11-15-5-7-16(8-6-15)12-18-13-17(3,19)9-10-20-4/h5-8,14,18-19H,9-13H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol?
4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 103748411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).