N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine

C15H26FN3 — CID 43319044

IUPACN'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCN(CC)CCN(CCCN)c1cccc(F)c1
InChIInChI=1S/C15H26FN3/c1-3-18(4-2)11-12-19(10-6-9-17)15-8-5-7-14(16)13-15/h5,7-8,13H,3-4,6,9-12,17H2,1-2H3
InChIKeyVQMVVPQHYWNTFX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.32
Rot. Bonds9

About N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine

N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 43319044) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID43319044
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCN(CC)CCN(CCCN)c1cccc(F)c1
InChIInChI=1S/C15H26FN3/c1-3-18(4-2)11-12-19(10-6-9-17)15-8-5-7-14(16)13-15/h5,7-8,13H,3-4,6,9-12,17H2,1-2H3
InChIKeyVQMVVPQHYWNTFX-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
CID 61492057
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(3-fluorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 103000063
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine (CID 43319044) is N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine is CCN(CC)CCN(CCCN)c1cccc(F)c1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is VQMVVPQHYWNTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-3-18(4-2)11-12-19(10-6-9-17)15-8-5-7-14(16)13-15/h5,7-8,13H,3-4,6,9-12,17H2,1-2H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 43319044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).