1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol

C16H25NO2 — CID 114491649

IUPAC1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)16(3,18)11-19-15-6-4-5-13(9-15)10-17-14-7-8-14/h4-6,9,12,14,17-18H,7-8,10-11H2,1-3H3
InChIKeyXJYOEGKVYCVGPM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds7

About 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol

1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491649) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491649
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)16(3,18)11-19-15-6-4-5-13(9-15)10-17-14-7-8-14/h4-6,9,12,14,17-18H,7-8,10-11H2,1-3H3
InChIKeyXJYOEGKVYCVGPM-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900614
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol (CID 114491649) is 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)COc1cccc(CNC2CC2)c1.
What is the InChIKey of 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is XJYOEGKVYCVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)16(3,18)11-19-15-6-4-5-13(9-15)10-17-14-7-8-14/h4-6,9,12,14,17-18H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).