1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

C16H18F2N2 — CID 107520728

IUPAC1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)CC(N)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H18F2N2/c1-11-4-3-5-13(8-11)20(2)10-16(19)14-9-12(17)6-7-15(14)18/h3-9,16H,10,19H2,1-2H3
InChIKeyDVAMOFADHJKLLV-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.41
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine

1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 107520728) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID107520728
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)CC(N)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H18F2N2/c1-11-4-3-5-13(8-11)20(2)10-16(19)14-9-12(17)6-7-15(14)18/h3-9,16H,10,19H2,1-2H3
InChIKeyDVAMOFADHJKLLV-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520727
1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520677
1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520745
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996551
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140
1-N-methyl-1-N-(3-methylphenyl)heptane-1,2-diamine
CID 70562883
1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002810
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 107520728) is 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(C)CC(N)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is DVAMOFADHJKLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11-4-3-5-13(8-11)20(2)10-16(19)14-9-12(17)6-7-15(14)18/h3-9,16H,10,19H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine?
1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107520728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).