4-methyl-N-(oxolan-3-ylmethyl)aniline

C12H17NO — CID 43196526

IUPAC4-methyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C12H17NO/c1-10-2-4-12(5-3-10)13-8-11-6-7-14-9-11/h2-5,11,13H,6-9H2,1H3
InChIKeyOGMXTPQTWNLXEC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.44
Rot. Bonds3

About 4-methyl-N-(oxolan-3-ylmethyl)aniline

4-methyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43196526) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID43196526
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C12H17NO/c1-10-2-4-12(5-3-10)13-8-11-6-7-14-9-11/h2-5,11,13H,6-9H2,1H3
InChIKeyOGMXTPQTWNLXEC-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)aniline (CID 43196526) is 4-methyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 4-methyl-N-(oxolan-3-ylmethyl)aniline is Cc1ccc(NCC2CCOC2)cc1.
What is the InChIKey of 4-methyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is OGMXTPQTWNLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-2-4-12(5-3-10)13-8-11-6-7-14-9-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 4-methyl-N-(oxolan-3-ylmethyl)aniline?
4-methyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 191.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43196526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).