N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine

C15H25FN2 — CID 62985248

IUPACN'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
SMILESCC(c1ccccc1F)N(C)CCCCCCN
InChIInChI=1S/C15H25FN2/c1-13(14-9-5-6-10-15(14)16)18(2)12-8-4-3-7-11-17/h5-6,9-10,13H,3-4,7-8,11-12,17H2,1-2H3
InChIKeyJNFHWOCGSCRIOA-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.34
Rot. Bonds8

About N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine

N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine (PubChem CID 62985248) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
PubChem CID62985248
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
SMILESCC(c1ccccc1F)N(C)CCCCCCN
InChIInChI=1S/C15H25FN2/c1-13(14-9-5-6-10-15(14)16)18(2)12-8-4-3-7-11-17/h5-6,9-10,13H,3-4,7-8,11-12,17H2,1-2H3
InChIKeyJNFHWOCGSCRIOA-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 115318732
N'-methyl-N'-(1-phenylethyl)butane-1,4-diamine
CID 112509797
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine?
The IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine (CID 62985248) is N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine is CC(c1ccccc1F)N(C)CCCCCCN.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine?
The InChIKey is JNFHWOCGSCRIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-13(14-9-5-6-10-15(14)16)18(2)12-8-4-3-7-11-17/h5-6,9-10,13H,3-4,7-8,11-12,17H2,1-2H3.
What are the key properties of N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine?
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine is sourced from PubChem (CID 62985248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).