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

C13H21FN2 — CID 65233471

IUPAC2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-3-11(8-15)9-16(2)10-12-6-4-5-7-13(12)14/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyQNXUDMIUYDOSCE-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.24
Rot. Bonds6

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

2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 65233471) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID65233471
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-3-11(8-15)9-16(2)10-12-6-4-5-7-13(12)14/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyQNXUDMIUYDOSCE-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
CID 66224055
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 65233471) is 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)Cc1ccccc1F.
What is the InChIKey of 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is QNXUDMIUYDOSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-3-11(8-15)9-16(2)10-12-6-4-5-7-13(12)14/h4-7,11H,3,8-10,15H2,1-2H3.
What are the key properties of 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 65233471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).