N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine

C14H19F2NO2 — CID 65352954

IUPACN-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1COCCO1
InChIInChI=1S/C14H19F2NO2/c1-2-6-17-14(12-9-18-7-8-19-12)13-10(15)4-3-5-11(13)16/h3-5,12,14,17H,2,6-9H2,1H3
InChIKeyAXMNVJIXEXZSHR-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.42
Rot. Bonds5

About N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine (PubChem CID 65352954) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
PubChem CID65352954
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C1COCCO1
InChIInChI=1S/C14H19F2NO2/c1-2-6-17-14(12-9-18-7-8-19-12)13-10(15)4-3-5-11(13)16/h3-5,12,14,17H,2,6-9H2,1H3
InChIKeyAXMNVJIXEXZSHR-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 115867535
N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 79662548
N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 65352691
N-[(3-bromo-4-fluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 79747032
N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
N-[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 106764367
N-[1,4-dioxan-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65352236
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[(3-cyclopropyloxyphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105051921
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005
N-[1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045384

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine (CID 65352954) is N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine is CCCNC(c1c(F)cccc1F)C1COCCO1.
What is the InChIKey of N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
The InChIKey is AXMNVJIXEXZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-6-17-14(12-9-18-7-8-19-12)13-10(15)4-3-5-11(13)16/h3-5,12,14,17H,2,6-9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65352954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).