1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine

C15H16ClFN2 — CID 68603529

IUPAC1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine
SMILESNCC(NCc1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C15H16ClFN2/c16-13-7-3-2-6-12(13)15(9-18)19-10-11-5-1-4-8-14(11)17/h1-8,15,19H,9-10,18H2
InChIKeyKQLHQAYKPXYKSN-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine

1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 68603529) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine
PubChem CID68603529
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine
SMILESNCC(NCc1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C15H16ClFN2/c16-13-7-3-2-6-12(13)15(9-18)19-10-11-5-1-4-8-14(11)17/h1-8,15,19H,9-10,18H2
InChIKeyKQLHQAYKPXYKSN-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine (CID 68603529) is 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine is NCC(NCc1ccccc1F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is KQLHQAYKPXYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c16-13-7-3-2-6-12(13)15(9-18)19-10-11-5-1-4-8-14(11)17/h1-8,15,19H,9-10,18H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine?
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 278.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 68603529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).