N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine

C15H21F2NO2 — CID 65353005

IUPACN-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1COCCO1
InChIInChI=1S/C15H21F2NO2/c1-2-5-18-14(15-10-19-6-7-20-15)8-11-3-4-12(16)9-13(11)17/h3-4,9,14-15,18H,2,5-8,10H2,1H3
InChIKeyZKMSYZQHLAJVLZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine (PubChem CID 65353005) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
PubChem CID65353005
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1COCCO1
InChIInChI=1S/C15H21F2NO2/c1-2-5-18-14(15-10-19-6-7-20-15)8-11-3-4-12(16)9-13(11)17/h3-4,9,14-15,18H,2,5-8,10H2,1H3
InChIKeyZKMSYZQHLAJVLZ-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352793
N-[2-(4-chloro-3-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 107891917
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[1-(1,4-dioxan-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 65352285
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
N-[2-(3-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352896
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352954
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 115824336

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine (CID 65353005) is N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)C1COCCO1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
The InChIKey is ZKMSYZQHLAJVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-2-5-18-14(15-10-19-6-7-20-15)8-11-3-4-12(16)9-13(11)17/h3-4,9,14-15,18H,2,5-8,10H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65353005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).