2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

C13H21FN2 — CID 115254964

IUPAC2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-3-11(8-15-2)9-16-10-12-4-6-13(14)7-5-12/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyNSNRJUNJPIRSJG-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.16
Rot. Bonds7

About 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 115254964) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID115254964
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-3-11(8-15-2)9-16-10-12-4-6-13(14)7-5-12/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyNSNRJUNJPIRSJG-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
2-ethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 115251485
1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
CID 83960594
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 62530745
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025358

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 115254964) is 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is CCC(CNC)CNCc1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is NSNRJUNJPIRSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-3-11(8-15-2)9-16-10-12-4-6-13(14)7-5-12/h4-7,11,15-16H,3,8-10H2,1-2H3.
What are the key properties of 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115254964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).