3-[(oxolan-3-ylmethylamino)methyl]phenol

C12H17NO2 — CID 60920792

IUPAC3-[(oxolan-3-ylmethylamino)methyl]phenol
SMILESOc1cccc(CNCC2CCOC2)c1
InChIInChI=1S/C12H17NO2/c14-12-3-1-2-10(6-12)7-13-8-11-4-5-15-9-11/h1-3,6,11,13-14H,4-5,7-9H2
InChIKeyHWHZHXJZRJQLIZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.52
Rot. Bonds4

About 3-[(oxolan-3-ylmethylamino)methyl]phenol

3-[(oxolan-3-ylmethylamino)methyl]phenol (PubChem CID 60920792) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[(oxolan-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(oxolan-3-ylmethylamino)methyl]phenol
PubChem CID60920792
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[(oxolan-3-ylmethylamino)methyl]phenol
SMILESOc1cccc(CNCC2CCOC2)c1
InChIInChI=1S/C12H17NO2/c14-12-3-1-2-10(6-12)7-13-8-11-4-5-15-9-11/h1-3,6,11,13-14H,4-5,7-9H2
InChIKeyHWHZHXJZRJQLIZ-UHFFFAOYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
2-bromo-5-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107814501
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63725761
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
CID 125462794
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]phenol
CID 60733467
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 79781899
1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103643870
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607

Frequently Asked Questions

What is the IUPAC name of 3-[(oxolan-3-ylmethylamino)methyl]phenol?
The IUPAC name of 3-[(oxolan-3-ylmethylamino)methyl]phenol (CID 60920792) is 3-[(oxolan-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 3-[(oxolan-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 3-[(oxolan-3-ylmethylamino)methyl]phenol is Oc1cccc(CNCC2CCOC2)c1.
What is the InChIKey of 3-[(oxolan-3-ylmethylamino)methyl]phenol?
The InChIKey is HWHZHXJZRJQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12-3-1-2-10(6-12)7-13-8-11-4-5-15-9-11/h1-3,6,11,13-14H,4-5,7-9H2.
What are the key properties of 3-[(oxolan-3-ylmethylamino)methyl]phenol?
3-[(oxolan-3-ylmethylamino)methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(oxolan-3-ylmethylamino)methyl]phenol is sourced from PubChem (CID 60920792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).