5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline

C17H25FN2O — CID 90926661

IUPAC5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline
SMILESC=C(c1ccc(F)cc1NC)N(C)CC1(C)CCOCC1
InChIInChI=1S/C17H25FN2O/c1-13(15-6-5-14(18)11-16(15)19-3)20(4)12-17(2)7-9-21-10-8-17/h5-6,11,19H,1,7-10,12H2,2-4H3
InChIKeyCPGJOUDFHRXLDP-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.59
Rot. Bonds5

About 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline

5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline (PubChem CID 90926661) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline
PubChem CID90926661
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline
SMILESC=C(c1ccc(F)cc1NC)N(C)CC1(C)CCOCC1
InChIInChI=1S/C17H25FN2O/c1-13(15-6-5-14(18)11-16(15)19-3)20(4)12-17(2)7-9-21-10-8-17/h5-6,11,19H,1,7-10,12H2,2-4H3
InChIKeyCPGJOUDFHRXLDP-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline?
The IUPAC name of 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline (CID 90926661) is 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline.
What is the SMILES notation for 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline?
The canonical SMILES for 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline is C=C(c1ccc(F)cc1NC)N(C)CC1(C)CCOCC1.
What is the InChIKey of 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline?
The InChIKey is CPGJOUDFHRXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(15-6-5-14(18)11-16(15)19-3)20(4)12-17(2)7-9-21-10-8-17/h5-6,11,19H,1,7-10,12H2,2-4H3.
What are the key properties of 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline?
5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline has a molecular weight of 292.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-[1-[methyl-[(4-methyloxan-4-yl)methyl]amino]ethenyl]aniline is sourced from PubChem (CID 90926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).