1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine

C16H25NO2 — CID 116765719

IUPAC1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCCOC1(C(NC)c2ccccc2C)CCOCC1
InChIInChI=1S/C16H25NO2/c1-4-19-16(9-11-18-12-10-16)15(17-3)14-8-6-5-7-13(14)2/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyJHDFXEHRLXXDLE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine

1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 116765719) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID116765719
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCCOC1(C(NC)c2ccccc2C)CCOCC1
InChIInChI=1S/C16H25NO2/c1-4-19-16(9-11-18-12-10-16)15(17-3)14-8-6-5-7-13(14)2/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyJHDFXEHRLXXDLE-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine (CID 116765719) is 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine is CCOC1(C(NC)c2ccccc2C)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is JHDFXEHRLXXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-16(9-11-18-12-10-16)15(17-3)14-8-6-5-7-13(14)2/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 116765719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).