2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol

C15H25NO2 — CID 55055189

IUPAC2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-15(2,12-17)11-16(3)10-13-7-6-8-14(9-13)18-4/h6-9,17H,5,10-12H2,1-4H3
InChIKeyXNTQOFUTAULEST-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.54
Rot. Bonds7

About 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol (PubChem CID 55055189) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
PubChem CID55055189
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-15(2,12-17)11-16(3)10-13-7-6-8-14(9-13)18-4/h6-9,17H,5,10-12H2,1-4H3
InChIKeyXNTQOFUTAULEST-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271920
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
2-ethyl-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]butanal
CID 55051892
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 62266717
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 64556823
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303
1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol (CID 55055189) is 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is XNTQOFUTAULEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(2,12-17)11-16(3)10-13-7-6-8-14(9-13)18-4/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 55055189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).