2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

C13H21FN2 — CID 62259102

IUPAC2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CN)CN(C)c1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-4-13(2,9-15)10-16(3)12-7-5-6-11(14)8-12/h5-8H,4,9-10,15H2,1-3H3
InChIKeyCWTDXJOUJLBHIH-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.64
Rot. Bonds5

About 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62259102) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62259102
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CN)CN(C)c1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-4-13(2,9-15)10-16(3)12-7-5-6-11(14)8-12/h5-8H,4,9-10,15H2,1-3H3
InChIKeyCWTDXJOUJLBHIH-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
2-ethyl-N'-(4-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259232
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513
2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62259628
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800
2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495574
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (CID 62259102) is 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is CCC(C)(CN)CN(C)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is CWTDXJOUJLBHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-13(2,9-15)10-16(3)12-7-5-6-11(14)8-12/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62259102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).