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

C18H24FN3 — CID 4288141

IUPACN-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
SMILESFc1ccccc1CNCCCCCCNc1ccccn1
InChIInChI=1S/C18H24FN3/c19-17-10-4-3-9-16(17)15-20-12-6-1-2-7-13-21-18-11-5-8-14-22-18/h3-5,8-11,14,20H,1-2,6-7,12-13,15H2,(H,21,22)
InChIKeyLJYITWPVTCCWRC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.98
Rot. Bonds10

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

N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine (PubChem CID 4288141) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
PubChem CID4288141
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC NameN-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
SMILESFc1ccccc1CNCCCCCCNc1ccccn1
InChIInChI=1S/C18H24FN3/c19-17-10-4-3-9-16(17)15-20-12-6-1-2-7-13-21-18-11-5-8-14-22-18/h3-5,8-11,14,20H,1-2,6-7,12-13,15H2,(H,21,22)
InChIKeyLJYITWPVTCCWRC-UHFFFAOYSA-N
XLogP3.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111361943
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
CID 51134818
N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide
CID 42706505

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine (CID 4288141) is N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine is Fc1ccccc1CNCCCCCCNc1ccccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine?
The InChIKey is LJYITWPVTCCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c19-17-10-4-3-9-16(17)15-20-12-6-1-2-7-13-21-18-11-5-8-14-22-18/h3-5,8-11,14,20H,1-2,6-7,12-13,15H2,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine?
N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine has a molecular weight of 301.41 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine is sourced from PubChem (CID 4288141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).