N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine

C13H21FN2 — CID 79092535

IUPACN-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H21FN2/c1-5-15-13(9-16(3)4)11-6-7-12(14)10(2)8-11/h6-8,13,15H,5,9H2,1-4H3
InChIKeyOAJRUGGWWQHQLK-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine

N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79092535) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79092535
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H21FN2/c1-5-15-13(9-16(3)4)11-6-7-12(14)10(2)8-11/h6-8,13,15H,5,9H2,1-4H3
InChIKeyOAJRUGGWWQHQLK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 63468837
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
N-ethyl-N',N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79092627
N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
CID 79747552
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 79092535) is N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OAJRUGGWWQHQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-15-13(9-16(3)4)11-6-7-12(14)10(2)8-11/h6-8,13,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79092535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).