3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol

C16H25NO2 — CID 114534749

IUPAC3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
SMILESCC(C)NCC1(Cc2cccc(O)c2)CCOC1C
InChIInChI=1S/C16H25NO2/c1-12(2)17-11-16(7-8-19-13(16)3)10-14-5-4-6-15(18)9-14/h4-6,9,12-13,17-18H,7-8,10-11H2,1-3H3
InChIKeyHRIOAYNPBFEYQH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds5

About 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol

3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol (PubChem CID 114534749) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
PubChem CID114534749
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
SMILESCC(C)NCC1(Cc2cccc(O)c2)CCOC1C
InChIInChI=1S/C16H25NO2/c1-12(2)17-11-16(7-8-19-13(16)3)10-14-5-4-6-15(18)9-14/h4-6,9,12-13,17-18H,7-8,10-11H2,1-3H3
InChIKeyHRIOAYNPBFEYQH-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534620
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534767
N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534984
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534710
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534634
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol?
The IUPAC name of 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol (CID 114534749) is 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol?
The canonical SMILES for 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol is CC(C)NCC1(Cc2cccc(O)c2)CCOC1C.
What is the InChIKey of 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol?
The InChIKey is HRIOAYNPBFEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)17-11-16(7-8-19-13(16)3)10-14-5-4-6-15(18)9-14/h4-6,9,12-13,17-18H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol?
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol is sourced from PubChem (CID 114534749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).