N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine

C15H21F2NO — CID 103273906

IUPACN-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)NCCC1(Oc2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C15H21F2NO/c1-11(2)18-9-8-15(6-3-7-15)19-12-4-5-13(16)14(17)10-12/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyYDGJYYZTFSAXMK-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.65
Rot. Bonds6

About N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine

N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 103273906) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID103273906
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)NCCC1(Oc2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C15H21F2NO/c1-11(2)18-9-8-15(6-3-7-15)19-12-4-5-13(16)14(17)10-12/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyYDGJYYZTFSAXMK-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine (CID 103273906) is N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine is CC(C)NCCC1(Oc2ccc(F)c(F)c2)CCC1.
What is the InChIKey of N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is YDGJYYZTFSAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(2)18-9-8-15(6-3-7-15)19-12-4-5-13(16)14(17)10-12/h4-5,10-11,18H,3,6-9H2,1-2H3.
What are the key properties of N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine?
N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 269.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-difluorophenoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103273906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).