2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C18H31FN2 — CID 63495574

IUPAC2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)c1cccc(F)c1
InChIInChI=1S/C18H31FN2/c1-6-18(7-2,13-20-12-15(3)4)14-21(5)17-10-8-9-16(19)11-17/h8-11,15,20H,6-7,12-14H2,1-5H3
InChIKeyKUOBZUPMNYFWFT-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.31
Rot. Bonds9

About 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63495574) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63495574
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)c1cccc(F)c1
InChIInChI=1S/C18H31FN2/c1-6-18(7-2,13-20-12-15(3)4)14-21(5)17-10-8-9-16(19)11-17/h8-11,15,20H,6-7,12-14H2,1-5H3
InChIKeyKUOBZUPMNYFWFT-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62259628
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379672
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 63495574) is 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)c1cccc(F)c1.
What is the InChIKey of 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is KUOBZUPMNYFWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-18(7-2,13-20-12-15(3)4)14-21(5)17-10-8-9-16(19)11-17/h8-11,15,20H,6-7,12-14H2,1-5H3.
What are the key properties of 2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.31, 9 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-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63495574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).