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

C15H25FN2 — CID 62259628

IUPAC2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-5-15(6-2,11-17-3)12-18(4)14-9-7-8-13(16)10-14/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyXVVNXOFGDVYPJH-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.29
Rot. Bonds7

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

2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62259628) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID62259628
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-5-15(6-2,11-17-3)12-18(4)14-9-7-8-13(16)10-14/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyXVVNXOFGDVYPJH-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495574
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
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-dimethylpropanehydrazide
CID 79631069
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
N,N',2,2-tetramethyl-N-(3-methylphenyl)propane-1,3-diamine
CID 62258877
3-fluoro-N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62435483
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (CID 62259628) is 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is CCC(CC)(CNC)CN(C)c1cccc(F)c1.
What is the InChIKey of 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is XVVNXOFGDVYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-15(6-2,11-17-3)12-18(4)14-9-7-8-13(16)10-14/h7-10,17H,5-6,11-12H2,1-4H3.
What are the key properties of 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62259628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).