2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol

C14H23NO3 — CID 64549744

IUPAC2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-14(2,10-16)15-9-11-6-12(17-3)8-13(7-11)18-4/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyMZHSAMSUWWMGPY-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol

2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol (PubChem CID 64549744) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
PubChem CID64549744
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-14(2,10-16)15-9-11-6-12(17-3)8-13(7-11)18-4/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyMZHSAMSUWWMGPY-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
CID 79832225
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
CID 84597784
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
CID 66408555
3-[(3,5-dimethoxyphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 113462705
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 64551186
3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64811025
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
3-[[3-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 111440156
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol (CID 64549744) is 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol?
The InChIKey is MZHSAMSUWWMGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-14(2,10-16)15-9-11-6-12(17-3)8-13(7-11)18-4/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol?
2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 64549744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).