N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine

C17H21FN2 — CID 63503875

IUPACN'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C17H21FN2/c1-3-20(17-10-5-4-7-14(17)2)12-11-19-16-9-6-8-15(18)13-16/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyVYQAUAPIRFSHIL-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.07
Rot. Bonds6

About N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine

N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 63503875) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
PubChem CID63503875
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C17H21FN2/c1-3-20(17-10-5-4-7-14(17)2)12-11-19-16-9-6-8-15(18)13-16/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyVYQAUAPIRFSHIL-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503202
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 63502362
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
CID 143524177
2-(2,4-difluorophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 46478861
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine (CID 63503875) is N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine is CCN(CCNc1cccc(F)c1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is VYQAUAPIRFSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-20(17-10-5-4-7-14(17)2)12-11-19-16-9-6-8-15(18)13-16/h4-10,13,19H,3,11-12H2,1-2H3.
What are the key properties of N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine?
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 4.07, 6 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)-N'-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63503875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).