N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine

C11H17FN2 — CID 61350856

IUPACN'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChIKeyCYSKDKJKTCAVEI-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.61
Rot. Bonds5

About N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 61350856) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
PubChem CID61350856
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChIKeyCYSKDKJKTCAVEI-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine (CID 61350856) is N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1cccc(F)c1.
What is the InChIKey of N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is CYSKDKJKTCAVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3.
What are the key properties of N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 61350856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).