N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine

C16H18ClFN2 — CID 107364552

IUPACN-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C)c1C(CN)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H18ClFN2/c1-10-4-3-5-11(2)16(10)15(9-19)20-14-7-12(17)6-13(18)8-14/h3-8,15,20H,9,19H2,1-2H3
InChIKeyLUQNXUFZSWVMQS-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.21
Rot. Bonds4

About N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine

N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine (PubChem CID 107364552) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
PubChem CID107364552
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C)c1C(CN)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H18ClFN2/c1-10-4-3-5-11(2)16(10)15(9-19)20-14-7-12(17)6-13(18)8-14/h3-8,15,20H,9,19H2,1-2H3
InChIKeyLUQNXUFZSWVMQS-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine (CID 107364552) is N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine is Cc1cccc(C)c1C(CN)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is LUQNXUFZSWVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-10-4-3-5-11(2)16(10)15(9-19)20-14-7-12(17)6-13(18)8-14/h3-8,15,20H,9,19H2,1-2H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine?
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107364552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).