2,5-dimethyl-N-(oxan-2-ylmethyl)aniline

C14H21NO — CID 43403445

IUPAC2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1ccc(C)c(NCC2CCCCO2)c1
InChIInChI=1S/C14H21NO/c1-11-6-7-12(2)14(9-11)15-10-13-5-3-4-8-16-13/h6-7,9,13,15H,3-5,8,10H2,1-2H3
InChIKeyXFSPUYSSRZASNS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.28
Rot. Bonds3

About 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline

2,5-dimethyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 43403445) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
PubChem CID43403445
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1ccc(C)c(NCC2CCCCO2)c1
InChIInChI=1S/C14H21NO/c1-11-6-7-12(2)14(9-11)15-10-13-5-3-4-8-16-13/h6-7,9,13,15H,3-5,8,10H2,1-2H3
InChIKeyXFSPUYSSRZASNS-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(oxan-2-ylmethylamino)benzonitrile
CID 62307968
N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54807972
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569
4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
5-methyl-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990775
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405
2-methyl-6-(oxan-2-ylmethylamino)benzonitrile
CID 114003060

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline (CID 43403445) is 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline is Cc1ccc(C)c(NCC2CCCCO2)c1.
What is the InChIKey of 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is XFSPUYSSRZASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-7-12(2)14(9-11)15-10-13-5-3-4-8-16-13/h6-7,9,13,15H,3-5,8,10H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline?
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 43403445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).