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

C16H18F2N2 — CID 63668595

IUPAC1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)c2cccc(F)c2F)c1
InChIInChI=1S/C16H18F2N2/c1-11-5-3-6-12(9-11)20(2)15(10-19)13-7-4-8-14(17)16(13)18/h3-9,15H,10,19H2,1-2H3
InChIKeyBFKDPHYBQCFPPN-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.41
Rot. Bonds4

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

1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 63668595) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID63668595
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)c2cccc(F)c2F)c1
InChIInChI=1S/C16H18F2N2/c1-11-5-3-6-12(9-11)20(2)15(10-19)13-7-4-8-14(17)16(13)18/h3-9,15H,10,19H2,1-2H3
InChIKeyBFKDPHYBQCFPPN-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 63668595) is 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(C)C(CN)c2cccc(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is BFKDPHYBQCFPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11-5-3-6-12(9-11)20(2)15(10-19)13-7-4-8-14(17)16(13)18/h3-9,15H,10,19H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
1-(2,3-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-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63668595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).