1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine

C15H23NO — CID 82475681

IUPAC1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(C)cc2C)CCOCC1
InChIInChI=1S/C15H23NO/c1-12-4-5-14(13(2)10-12)15(11-16-3)6-8-17-9-7-15/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyNLVFEKQGQZDFOP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds3

About 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine

1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine (PubChem CID 82475681) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
PubChem CID82475681
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(C)cc2C)CCOCC1
InChIInChI=1S/C15H23NO/c1-12-4-5-14(13(2)10-12)15(11-16-3)6-8-17-9-7-15/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyNLVFEKQGQZDFOP-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
4-(2,4-dimethylphenyl)-4-(isocyanatomethyl)oxane
CID 82085811
1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
CID 82471973
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
2-iodo-4-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528468
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
CID 116869315
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 116963674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine (CID 82475681) is 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine is CNCC1(c2ccc(C)cc2C)CCOCC1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine?
The InChIKey is NLVFEKQGQZDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-5-14(13(2)10-12)15(11-16-3)6-8-17-9-7-15/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine?
1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82475681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).