2,6-dimethyl-N-(oxan-4-ylmethyl)aniline

C14H21NO — CID 62387138

IUPAC2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
SMILESCc1cccc(C)c1NCC1CCOCC1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-12(2)14(11)15-10-13-6-8-16-9-7-13/h3-5,13,15H,6-10H2,1-2H3
InChIKeyCKYBSQIHXPMUOJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds3

About 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline

2,6-dimethyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 62387138) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
PubChem CID62387138
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
SMILESCc1cccc(C)c1NCC1CCOCC1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-12(2)14(11)15-10-13-6-8-16-9-7-13/h3-5,13,15H,6-10H2,1-2H3
InChIKeyCKYBSQIHXPMUOJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline
CID 104843513
2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192
4-methyl-1-N-(oxan-4-ylmethyl)benzene-1,3-diamine
CID 63725269
4-chloro-2-methyl-N-(oxan-4-ylmethyl)aniline
CID 62386096
2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol
CID 62385987
3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62350855
methyl 3-amino-2-(oxan-4-ylmethylamino)benzoate
CID 112578985
3-bromo-2-ethyl-N-(oxan-4-ylmethyl)aniline
CID 123583224
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
3-methyl-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 107106883
6-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 53410289

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline (CID 62387138) is 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline is Cc1cccc(C)c1NCC1CCOCC1.
What is the InChIKey of 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is CKYBSQIHXPMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-3-5-12(2)14(11)15-10-13-6-8-16-9-7-13/h3-5,13,15H,6-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline?
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 62387138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).