N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine

C17H30FN3 — CID 102995296

IUPACN,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(F)cc1CNC
InChIInChI=1S/C17H30FN3/c1-5-20(6-2)11-8-12-21(7-3)17-10-9-16(18)13-15(17)14-19-4/h9-10,13,19H,5-8,11-12,14H2,1-4H3
InChIKeyNVVMBZPTLMGLEB-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.10
Rot. Bonds10

About N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine (PubChem CID 102995296) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
PubChem CID102995296
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC NameN,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(F)cc1CNC
InChIInChI=1S/C17H30FN3/c1-5-20(6-2)11-8-12-21(7-3)17-10-9-16(18)13-15(17)14-19-4/h9-10,13,19H,5-8,11-12,14H2,1-4H3
InChIKeyNVVMBZPTLMGLEB-UHFFFAOYSA-N
XLogP3.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995290
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine (CID 102995296) is N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine is CCN(CC)CCCN(CC)c1ccc(F)cc1CNC.
What is the InChIKey of N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine?
The InChIKey is NVVMBZPTLMGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3/c1-5-20(6-2)11-8-12-21(7-3)17-10-9-16(18)13-15(17)14-19-4/h9-10,13,19H,5-8,11-12,14H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine has a molecular weight of 295.45 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 102995296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).