N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine

C12H19FN2O — CID 60894649

IUPACN'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
SMILESCOc1ccc(C(C)NCCCN)c(F)c1
InChIInChI=1S/C12H19FN2O/c1-9(15-7-3-6-14)11-5-4-10(16-2)8-12(11)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3
InChIKeyMOEQXRXXWPJSBP-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.83
Rot. Bonds6

About N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine

N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 60894649) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID60894649
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
SMILESCOc1ccc(C(C)NCCCN)c(F)c1
InChIInChI=1S/C12H19FN2O/c1-9(15-7-3-6-14)11-5-4-10(16-2)8-12(11)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3
InChIKeyMOEQXRXXWPJSBP-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 60924375

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine (CID 60894649) is N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine is COc1ccc(C(C)NCCCN)c(F)c1.
What is the InChIKey of N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is MOEQXRXXWPJSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(15-7-3-6-14)11-5-4-10(16-2)8-12(11)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3.
What are the key properties of N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine?
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60894649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).