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

C12H19FN2 — CID 79093897

IUPACN-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-4-14-12(9-15(2)3)10-6-5-7-11(13)8-10/h5-8,12,14H,4,9H2,1-3H3
InChIKeyNZEGEXFYNOPQHA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.04
Rot. Bonds5

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

N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79093897) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79093897
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-4-14-12(9-15(2)3)10-6-5-7-11(13)8-10/h5-8,12,14H,4,9H2,1-3H3
InChIKeyNZEGEXFYNOPQHA-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79380126
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (CID 79093897) is N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NZEGEXFYNOPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-14-12(9-15(2)3)10-6-5-7-11(13)8-10/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79093897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).