1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine

C13H21FN2 — CID 83960594

IUPAC1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
SMILESCCCCC(N)CNCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-2-3-4-13(15)10-16-9-11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9-10,15H2,1H3
InChIKeyCOKOAUPIHZUDLD-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.43
Rot. Bonds7

About 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine

1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine (PubChem CID 83960594) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
PubChem CID83960594
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
SMILESCCCCC(N)CNCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-2-3-4-13(15)10-16-9-11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9-10,15H2,1H3
InChIKeyCOKOAUPIHZUDLD-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
1-N-(3-fluorophenyl)hexane-1,2-diamine
CID 83951003
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
CID 115119666
1-[(4-fluorophenyl)methylamino]propan-2-yl pentanoate
CID 82533188
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115254964
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine (CID 83960594) is 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine is CCCCC(N)CNCc1ccc(F)cc1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine?
The InChIKey is COKOAUPIHZUDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-2-3-4-13(15)10-16-9-11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9-10,15H2,1H3.
What are the key properties of 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine?
1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 83960594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).