1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine

C16H18ClFN2 — CID 43080648

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2/c1-2-20(12-7-4-3-5-8-12)15(11-19)16-13(17)9-6-10-14(16)18/h3-10,15H,2,11,19H2,1H3
InChIKeyFGAAVDVRCSIHJH-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.01
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine (PubChem CID 43080648) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
PubChem CID43080648
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2/c1-2-20(12-7-4-3-5-8-12)15(11-19)16-13(17)9-6-10-14(16)18/h3-10,15H,2,11,19H2,1H3
InChIKeyFGAAVDVRCSIHJH-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

N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine (CID 43080648) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine is CCN(c1ccccc1)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
The InChIKey is FGAAVDVRCSIHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-2-20(12-7-4-3-5-8-12)15(11-19)16-13(17)9-6-10-14(16)18/h3-10,15H,2,11,19H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine?
1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 43080648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).