N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine

C15H23FN2O — CID 43611306

IUPACN-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
SMILESCNC(C)c1cc(F)ccc1N(C)C1CCOCC1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)14-10-12(16)4-5-15(14)18(3)13-6-8-19-9-7-13/h4-5,10-11,13,17H,6-9H2,1-3H3
InChIKeyOTWIAIZSICQORM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.72
Rot. Bonds4

About N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine

N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine (PubChem CID 43611306) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
PubChem CID43611306
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
SMILESCNC(C)c1cc(F)ccc1N(C)C1CCOCC1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)14-10-12(16)4-5-15(14)18(3)13-6-8-19-9-7-13/h4-5,10-11,13,17H,6-9H2,1-3H3
InChIKeyOTWIAIZSICQORM-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine (CID 43611306) is N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine is CNC(C)c1cc(F)ccc1N(C)C1CCOCC1.
What is the InChIKey of N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine?
The InChIKey is OTWIAIZSICQORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17-2)14-10-12(16)4-5-15(14)18(3)13-6-8-19-9-7-13/h4-5,10-11,13,17H,6-9H2,1-3H3.
What are the key properties of N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine?
N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 43611306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).