N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine

C13H21FN2 — CID 83960643

IUPACN'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
SMILESNCCCCCCNCc1ccccc1F
InChIInChI=1S/C13H21FN2/c14-13-8-4-3-7-12(13)11-16-10-6-2-1-5-9-15/h3-4,7-8,16H,1-2,5-6,9-11,15H2
InChIKeyBKLUAUIJSZAPGN-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.43
Rot. Bonds8

About N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine

N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine (PubChem CID 83960643) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
PubChem CID83960643
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
SMILESNCCCCCCNCc1ccccc1F
InChIInChI=1S/C13H21FN2/c14-13-8-4-3-7-12(13)11-16-10-6-2-1-5-9-15/h3-4,7-8,16H,1-2,5-6,9-11,15H2
InChIKeyBKLUAUIJSZAPGN-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N'-benzylheptane-1,7-diamine
CID 61150072
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N'-benzyldodecane-1,12-diamine
CID 10589617
N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
CID 4288141
2-[(4-aminobutylamino)methyl]benzonitrile
CID 107935930
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine (CID 83960643) is N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine is NCCCCCCNCc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine?
The InChIKey is BKLUAUIJSZAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c14-13-8-4-3-7-12(13)11-16-10-6-2-1-5-9-15/h3-4,7-8,16H,1-2,5-6,9-11,15H2.
What are the key properties of N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine?
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine is sourced from PubChem (CID 83960643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).