N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine

C18H23FN2 — CID 28770757

IUPACN'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESCCc1ccc(CN(CCCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H23FN2/c1-2-15-4-6-16(7-5-15)14-21(13-3-12-20)18-10-8-17(19)9-11-18/h4-11H,2-3,12-14,20H2,1H3
InChIKeyJLYGGFYNGBFPBP-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.74
Rot. Bonds7

About N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine

N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine (PubChem CID 28770757) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
PubChem CID28770757
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESCCc1ccc(CN(CCCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H23FN2/c1-2-15-4-6-16(7-5-15)14-21(13-3-12-20)18-10-8-17(19)9-11-18/h4-11H,2-3,12-14,20H2,1H3
InChIKeyJLYGGFYNGBFPBP-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine (CID 28770757) is N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine is CCc1ccc(CN(CCCN)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine?
The InChIKey is JLYGGFYNGBFPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-15-4-6-16(7-5-15)14-21(13-3-12-20)18-10-8-17(19)9-11-18/h4-11H,2-3,12-14,20H2,1H3.
What are the key properties of N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine?
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 28770757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).