3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol

C14H21NO3 — CID 103848358

IUPAC3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
SMILESCOCc1cccc(CNCC2(O)CCOC2)c1
InChIInChI=1S/C14H21NO3/c1-17-9-13-4-2-3-12(7-13)8-15-10-14(16)5-6-18-11-14/h2-4,7,15-16H,5-6,8-11H2,1H3
InChIKeyWPRPPVASDBKLNO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.07
Rot. Bonds6

About 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol

3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol (PubChem CID 103848358) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
PubChem CID103848358
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
SMILESCOCc1cccc(CNCC2(O)CCOC2)c1
InChIInChI=1S/C14H21NO3/c1-17-9-13-4-2-3-12(7-13)8-15-10-14(16)5-6-18-11-14/h2-4,7,15-16H,5-6,8-11H2,1H3
InChIKeyWPRPPVASDBKLNO-UHFFFAOYSA-N
XLogP1.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
4-[[[3-(3-methoxypropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115069
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
N'-hydroxy-4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106101834
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
CID 103848442

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol (CID 103848358) is 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol is COCc1cccc(CNCC2(O)CCOC2)c1.
What is the InChIKey of 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol?
The InChIKey is WPRPPVASDBKLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-9-13-4-2-3-12(7-13)8-15-10-14(16)5-6-18-11-14/h2-4,7,15-16H,5-6,8-11H2,1H3.
What are the key properties of 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol?
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).