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

C12H17NO — CID 3771817

IUPACN-methyl-N-(oxolan-3-ylmethyl)aniline
SMILESCN(CC1CCOC1)c1ccccc1
InChIInChI=1S/C12H17NO/c1-13(9-11-7-8-14-10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyPONRJMQUDSZCOD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.16
Rot. Bonds3

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

N-methyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 3771817) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID3771817
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)aniline
SMILESCN(CC1CCOC1)c1ccccc1
InChIInChI=1S/C12H17NO/c1-13(9-11-7-8-14-10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyPONRJMQUDSZCOD-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)aniline (CID 3771817) is N-methyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)aniline is CN(CC1CCOC1)c1ccccc1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is PONRJMQUDSZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(9-11-7-8-14-10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)aniline?
N-methyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 191.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 3771817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).