4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol

C15H25NO2 — CID 113398854

IUPAC4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
SMILESCC(O)CCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(17)8-9-18-14-7-5-6-13(10-14)11-16-15(2,3)4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyNZNPQERHSOKXCD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.72
Rot. Bonds6

About 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol

4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol (PubChem CID 113398854) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
PubChem CID113398854
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
SMILESCC(O)CCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(17)8-9-18-14-7-5-6-13(10-14)11-16-15(2,3)4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyNZNPQERHSOKXCD-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
CID 55192326
N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 82007119
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol?
The IUPAC name of 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol (CID 113398854) is 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol.
What is the SMILES notation for 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol?
The canonical SMILES for 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol is CC(O)CCOc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol?
The InChIKey is NZNPQERHSOKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(17)8-9-18-14-7-5-6-13(10-14)11-16-15(2,3)4/h5-7,10,12,16-17H,8-9,11H2,1-4H3.
What are the key properties of 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol?
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol is sourced from PubChem (CID 113398854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).