4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine

C17H29FN2 — CID 106799773

IUPAC4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-15(19-6-2)10-9-13-20(4)14(3)16-11-7-8-12-17(16)18/h7-8,11-12,14-15,19H,5-6,9-10,13H2,1-4H3
InChIKeyRDAPCHCLCLXKQI-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.99
Rot. Bonds9

About 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine

4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine (PubChem CID 106799773) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
PubChem CID106799773
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-15(19-6-2)10-9-13-20(4)14(3)16-11-7-8-12-17(16)18/h7-8,11-12,14-15,19H,5-6,9-10,13H2,1-4H3
InChIKeyRDAPCHCLCLXKQI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine (CID 106799773) is 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine is CCNC(CC)CCCN(C)C(C)c1ccccc1F.
What is the InChIKey of 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine?
The InChIKey is RDAPCHCLCLXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-15(19-6-2)10-9-13-20(4)14(3)16-11-7-8-12-17(16)18/h7-8,11-12,14-15,19H,5-6,9-10,13H2,1-4H3.
What are the key properties of 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine?
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine is sourced from PubChem (CID 106799773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).