N-(oxolan-2-ylmethyl)aniline

C11H15NO — CID 19811458

IUPACN-(oxolan-2-ylmethyl)aniline
SMILESc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C11H15NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2
InChIKeyMWKUECPGLXXAGM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.28
Rot. Bonds3

About N-(oxolan-2-ylmethyl)aniline

N-(oxolan-2-ylmethyl)aniline (PubChem CID 19811458) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)aniline
PubChem CID19811458
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(oxolan-2-ylmethyl)aniline
SMILESc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C11H15NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2
InChIKeyMWKUECPGLXXAGM-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of N-(oxolan-2-ylmethyl)aniline (CID 19811458) is N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for N-(oxolan-2-ylmethyl)aniline is c1ccc(NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)aniline?
The InChIKey is MWKUECPGLXXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2.
What are the key properties of N-(oxolan-2-ylmethyl)aniline?
N-(oxolan-2-ylmethyl)aniline has a molecular weight of 177.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 19811458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).