N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine

C17H21FN2 — CID 62575062

IUPACN'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H21FN2/c1-2-20(14-15-8-4-3-5-9-15)13-12-19-17-11-7-6-10-16(17)18/h3-11,19H,2,12-14H2,1H3
InChIKeyOWJVOZBRYSJNAT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.76
Rot. Bonds7

About N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine

N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 62575062) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID62575062
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H21FN2/c1-2-20(14-15-8-4-3-5-9-15)13-12-19-17-11-7-6-10-16(17)18/h3-11,19H,2,12-14H2,1H3
InChIKeyOWJVOZBRYSJNAT-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554058
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N-(2-fluorophenyl)-N'-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62559494
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine (CID 62575062) is N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine is CCN(CCNc1ccccc1F)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is OWJVOZBRYSJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-20(14-15-8-4-3-5-9-15)13-12-19-17-11-7-6-10-16(17)18/h3-11,19H,2,12-14H2,1H3.
What are the key properties of N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine?
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 62575062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).