1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

C15H21F2NO2 — CID 116765724

IUPAC1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-3-20-15(6-8-19-9-7-15)14(18-2)11-4-5-12(16)13(17)10-11/h4-5,10,14,18H,3,6-9H2,1-2H3
InChIKeyYNLDYNXPEGVHJR-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.81
Rot. Bonds5

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

1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 116765724) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
PubChem CID116765724
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-3-20-15(6-8-19-9-7-15)14(18-2)11-4-5-12(16)13(17)10-11/h4-5,10,14,18H,3,6-9H2,1-2H3
InChIKeyYNLDYNXPEGVHJR-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
[(3,4-difluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275720
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (CID 116765724) is 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is CCOC1(C(NC)c2ccc(F)c(F)c2)CCOCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is YNLDYNXPEGVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-20-15(6-8-19-9-7-15)14(18-2)11-4-5-12(16)13(17)10-11/h4-5,10,14,18H,3,6-9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 285.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 116765724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).