2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol

C16H25NO3 — CID 62390491

IUPAC2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1(CO)CCOCC1
InChIInChI=1S/C16H25NO3/c18-9-8-17(12-15-4-2-1-3-5-15)13-16(14-19)6-10-20-11-7-16/h1-5,18-19H,6-14H2
InChIKeyFCANMQZJJUPMBI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.27
Rot. Bonds7

About 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol

2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol (PubChem CID 62390491) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
PubChem CID62390491
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1(CO)CCOCC1
InChIInChI=1S/C16H25NO3/c18-9-8-17(12-15-4-2-1-3-5-15)13-16(14-19)6-10-20-11-7-16/h1-5,18-19H,6-14H2
InChIKeyFCANMQZJJUPMBI-UHFFFAOYSA-N
XLogP1.27
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol (CID 62390491) is 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)CC1(CO)CCOCC1.
What is the InChIKey of 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol?
The InChIKey is FCANMQZJJUPMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-9-8-17(12-15-4-2-1-3-5-15)13-16(14-19)6-10-20-11-7-16/h1-5,18-19H,6-14H2.
What are the key properties of 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol?
2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol has a molecular weight of 279.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 62390491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).