1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine

C16H18ClFN2 — CID 114842813

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2/c1-2-20(13-6-4-3-5-7-13)16(11-19)14-10-12(17)8-9-15(14)18/h3-10,16H,2,11,19H2,1H3
InChIKeySQTZIFKCBMAISZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.01
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine

1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine (PubChem CID 114842813) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
PubChem CID114842813
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2/c1-2-20(13-6-4-3-5-7-13)16(11-19)14-10-12(17)8-9-15(14)18/h3-10,16H,2,11,19H2,1H3
InChIKeySQTZIFKCBMAISZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
1-(5-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842934
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 114842877
1-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 114843325
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 66157032
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine (CID 114842813) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine is CCN(c1ccccc1)C(CN)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
The InChIKey is SQTZIFKCBMAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-2-20(13-6-4-3-5-7-13)16(11-19)14-10-12(17)8-9-15(14)18/h3-10,16H,2,11,19H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 114842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).