1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol

C13H19NO2 — CID 115032739

IUPAC1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1ccc(CN)cc1)C1CCOC1
InChIInChI=1S/C13H19NO2/c1-13(15,12-6-7-16-9-12)11-4-2-10(8-14)3-5-11/h2-5,12,15H,6-9,14H2,1H3
InChIKeyQAVRPECXFOHAMT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol

1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol (PubChem CID 115032739) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
PubChem CID115032739
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1ccc(CN)cc1)C1CCOC1
InChIInChI=1S/C13H19NO2/c1-13(15,12-6-7-16-9-12)11-4-2-10(8-14)3-5-11/h2-5,12,15H,6-9,14H2,1H3
InChIKeyQAVRPECXFOHAMT-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol (CID 115032739) is 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol is CC(O)(c1ccc(CN)cc1)C1CCOC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol?
The InChIKey is QAVRPECXFOHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(15,12-6-7-16-9-12)11-4-2-10(8-14)3-5-11/h2-5,12,15H,6-9,14H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol?
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115032739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).