N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine

C11H17FN2 — CID 83962888

IUPACN-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
SMILESCCNCCNCc1ccccc1F
InChIInChI=1S/C11H17FN2/c1-2-13-7-8-14-9-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyHSBCJZIEOQWVBR-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.52
Rot. Bonds6

About N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine

N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 83962888) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
PubChem CID83962888
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
SMILESCCNCCNCc1ccccc1F
InChIInChI=1S/C11H17FN2/c1-2-13-7-8-14-9-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyHSBCJZIEOQWVBR-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.52
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

ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
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2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
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N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
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N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215455
2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 115627127
N-[(2-fluorophenyl)methyl]-3-methylbut-3-en-1-amine
CID 114471961
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
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CID 62435559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine (CID 83962888) is N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine is CCNCCNCc1ccccc1F.
What is the InChIKey of N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is HSBCJZIEOQWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-13-7-8-14-9-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 83962888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).