2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline

C14H21NO — CID 15646989

IUPAC2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCc1cccc(C)c1NCC1CCCO1
InChIInChI=1S/C14H21NO/c1-3-12-7-4-6-11(2)14(12)15-10-13-8-5-9-16-13/h4,6-7,13,15H,3,5,8-10H2,1-2H3
InChIKeyMABVJXIUYCKIBO-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.15
Rot. Bonds4

About 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline

2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 15646989) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID15646989
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCc1cccc(C)c1NCC1CCCO1
InChIInChI=1S/C14H21NO/c1-3-12-7-4-6-11(2)14(12)15-10-13-8-5-9-16-13/h4,6-7,13,15H,3,5,8-10H2,1-2H3
InChIKeyMABVJXIUYCKIBO-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline (CID 15646989) is 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline is CCc1cccc(C)c1NCC1CCCO1.
What is the InChIKey of 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is MABVJXIUYCKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12-7-4-6-11(2)14(12)15-10-13-8-5-9-16-13/h4,6-7,13,15H,3,5,8-10H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline?
2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 15646989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).