N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine

C12H19FN2 — CID 143524177

IUPACN'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
SMILESCCN(CCNC)c1ccc(F)cc1C
InChIInChI=1S/C12H19FN2/c1-4-15(8-7-14-3)12-6-5-11(13)9-10(12)2/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyGDSFUYDTCYYCQA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.18
Rot. Bonds5

About N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine

N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine (PubChem CID 143524177) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
PubChem CID143524177
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
SMILESCCN(CCNC)c1ccc(F)cc1C
InChIInChI=1S/C12H19FN2/c1-4-15(8-7-14-3)12-6-5-11(13)9-10(12)2/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyGDSFUYDTCYYCQA-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
N'-ethyl-N'-(5-fluoro-1-methylbenzimidazol-2-yl)-N-methylethane-1,2-diamine
CID 90945259
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-(2,4-difluorophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 46478861
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
N-[2-(N-ethyl-2-methyl-4-nitrosoanilino)ethyl]methanesulfonamide
CID 18788006
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine (CID 143524177) is N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine is CCN(CCNC)c1ccc(F)cc1C.
What is the InChIKey of N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is GDSFUYDTCYYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-15(8-7-14-3)12-6-5-11(13)9-10(12)2/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 143524177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).