N-(oxolan-3-ylmethyl)aniline

C11H15NO — CID 43190029

IUPACN-(oxolan-3-ylmethyl)aniline
SMILESc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-5,10,12H,6-9H2
InChIKeyYUNAEHHLGYDTME-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.13
Rot. Bonds3

About N-(oxolan-3-ylmethyl)aniline

N-(oxolan-3-ylmethyl)aniline (PubChem CID 43190029) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)aniline
PubChem CID43190029
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(oxolan-3-ylmethyl)aniline
SMILESc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-5,10,12H,6-9H2
InChIKeyYUNAEHHLGYDTME-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of N-(oxolan-3-ylmethyl)aniline (CID 43190029) is N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for N-(oxolan-3-ylmethyl)aniline is c1ccc(NCC2CCOC2)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)aniline?
The InChIKey is YUNAEHHLGYDTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-5,10,12H,6-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)aniline?
N-(oxolan-3-ylmethyl)aniline has a molecular weight of 177.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43190029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).