[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol

C17H25NO2 — CID 107229831

IUPAC[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol
SMILESCC1(C)C(NCc2ccc(CO)cc2)C2CCCOC21
InChIInChI=1S/C17H25NO2/c1-17(2)15(14-4-3-9-20-16(14)17)18-10-12-5-7-13(11-19)8-6-12/h5-8,14-16,18-19H,3-4,9-11H2,1-2H3
InChIKeyRMQWGYFZRWHYPB-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.47
Rot. Bonds4

About [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol

[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol (PubChem CID 107229831) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol
PubChem CID107229831
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol
SMILESCC1(C)C(NCc2ccc(CO)cc2)C2CCCOC21
InChIInChI=1S/C17H25NO2/c1-17(2)15(14-4-3-9-20-16(14)17)18-10-12-5-7-13(11-19)8-6-12/h5-8,14-16,18-19H,3-4,9-11H2,1-2H3
InChIKeyRMQWGYFZRWHYPB-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

2-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenol
CID 115655104
N-[(4-chlorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864266
(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 124724919
2-[2-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenoxy]ethanol
CID 75472031
2-[2-[[[(1S,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]amino]methyl]phenoxy]ethanol
CID 97336239
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596
2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
CID 114750778
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 79236773
N-[4-[(dimethylamino)methyl]phenyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865374
(1S,5R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043726
(1S,6R,7R)-N-[(6-methoxy-2-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 99851443
N-(1,3-benzodioxol-4-ylmethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863249

Frequently Asked Questions

What is the IUPAC name of [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol (CID 107229831) is [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol is CC1(C)C(NCc2ccc(CO)cc2)C2CCCOC21.
What is the InChIKey of [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol?
The InChIKey is RMQWGYFZRWHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)15(14-4-3-9-20-16(14)17)18-10-12-5-7-13(11-19)8-6-12/h5-8,14-16,18-19H,3-4,9-11H2,1-2H3.
What are the key properties of [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol?
[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol has a molecular weight of 275.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).