1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol

C16H27NO2 — CID 115136999

IUPAC1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CN(C)CC(C)(C)O)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)14-9-13(7-8-15(14)19-6)10-17(5)11-16(3,4)18/h7-9,12,18H,10-11H2,1-6H3
InChIKeyIKSPVILBUDFQRU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.02
Rot. Bonds6

About 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol

1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 115136999) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID115136999
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CN(C)CC(C)(C)O)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)14-9-13(7-8-15(14)19-6)10-17(5)11-16(3,4)18/h7-9,12,18H,10-11H2,1-6H3
InChIKeyIKSPVILBUDFQRU-UHFFFAOYSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
CID 115217660
3-chloro-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methylpropan-1-amine
CID 115215710
1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 24714459
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166361
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
2-hydroxy-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 115178740
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol (CID 115136999) is 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol is COc1ccc(CN(C)CC(C)(C)O)cc1C(C)C.
What is the InChIKey of 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is IKSPVILBUDFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)14-9-13(7-8-15(14)19-6)10-17(5)11-16(3,4)18/h7-9,12,18H,10-11H2,1-6H3.
What are the key properties of 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 115136999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).