1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C16H18F2N2 — CID 115376255

IUPAC1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c1-11(15-8-7-12(17)9-16(15)18)19-13-5-4-6-14(10-13)20(2)3/h4-11,19H,1-3H3
InChIKeyTYQIBKWONBCRTH-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.20
Rot. Bonds4

About 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376255) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376255
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c1-11(15-8-7-12(17)9-16(15)18)19-13-5-4-6-14(10-13)20(2)3/h4-11,19H,1-3H3
InChIKeyTYQIBKWONBCRTH-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82536794
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
3-N,3-N-dimethyl-1-N-[1-(2-nitrophenyl)ethyl]benzene-1,3-diamine
CID 115376017
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
CID 115376129
4-butan-2-yl-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43681088

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376255) is 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CC(Nc1cccc(N(C)C)c1)c1ccc(F)cc1F.
What is the InChIKey of 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is TYQIBKWONBCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11(15-8-7-12(17)9-16(15)18)19-13-5-4-6-14(10-13)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 276.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).