1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

C17H27NO2 — CID 116765595

IUPAC1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(C)c2C)CCOCC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(9-11-19-12-10-17)16(18-4)15-8-6-7-13(2)14(15)3/h6-8,16,18H,5,9-12H2,1-4H3
InChIKeyQZMWYTWGXRVCGR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 116765595) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
PubChem CID116765595
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(C)c2C)CCOCC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(9-11-19-12-10-17)16(18-4)15-8-6-7-13(2)14(15)3/h6-8,16,18H,5,9-12H2,1-4H3
InChIKeyQZMWYTWGXRVCGR-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
[(2,3-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276240
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276799

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (CID 116765595) is 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(C)c2C)CCOCC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is QZMWYTWGXRVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-17(9-11-19-12-10-17)16(18-4)15-8-6-7-13(2)14(15)3/h6-8,16,18H,5,9-12H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 116765595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).