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

C13H19NO — CID 116925951

IUPACN-methyl-3-(oxan-4-ylmethyl)aniline
SMILESCNc1cccc(CC2CCOCC2)c1
InChIInChI=1S/C13H19NO/c1-14-13-4-2-3-12(10-13)9-11-5-7-15-8-6-11/h2-4,10-11,14H,5-9H2,1H3
InChIKeyFVVAJAUCTKQQBU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.70
Rot. Bonds3

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

N-methyl-3-(oxan-4-ylmethyl)aniline (PubChem CID 116925951) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-ylmethyl)aniline
PubChem CID116925951
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-3-(oxan-4-ylmethyl)aniline
SMILESCNc1cccc(CC2CCOCC2)c1
InChIInChI=1S/C13H19NO/c1-14-13-4-2-3-12(10-13)9-11-5-7-15-8-6-11/h2-4,10-11,14H,5-9H2,1H3
InChIKeyFVVAJAUCTKQQBU-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-ylmethyl)aniline?
The IUPAC name of N-methyl-3-(oxan-4-ylmethyl)aniline (CID 116925951) is N-methyl-3-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for N-methyl-3-(oxan-4-ylmethyl)aniline?
The canonical SMILES for N-methyl-3-(oxan-4-ylmethyl)aniline is CNc1cccc(CC2CCOCC2)c1.
What is the InChIKey of N-methyl-3-(oxan-4-ylmethyl)aniline?
The InChIKey is FVVAJAUCTKQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-13-4-2-3-12(10-13)9-11-5-7-15-8-6-11/h2-4,10-11,14H,5-9H2,1H3.
What are the key properties of N-methyl-3-(oxan-4-ylmethyl)aniline?
N-methyl-3-(oxan-4-ylmethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 116925951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).