2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine

C11H16ClFN2 — CID 83925233

IUPAC2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
SMILESCC(c1c(F)cccc1Cl)C(CN)CN
InChIInChI=1S/C11H16ClFN2/c1-7(8(5-14)6-15)11-9(12)3-2-4-10(11)13/h2-4,7-8H,5-6,14-15H2,1H3
InChIKeyIYIJKFZADQPCPZ-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine

2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine (PubChem CID 83925233) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
PubChem CID83925233
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
SMILESCC(c1c(F)cccc1Cl)C(CN)CN
InChIInChI=1S/C11H16ClFN2/c1-7(8(5-14)6-15)11-9(12)3-2-4-10(11)13/h2-4,7-8H,5-6,14-15H2,1H3
InChIKeyIYIJKFZADQPCPZ-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
3-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 114275307
2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 79560259
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
CID 114275421

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine (CID 83925233) is 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine is CC(c1c(F)cccc1Cl)C(CN)CN.
What is the InChIKey of 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine?
The InChIKey is IYIJKFZADQPCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-7(8(5-14)6-15)11-9(12)3-2-4-10(11)13/h2-4,7-8H,5-6,14-15H2,1H3.
What are the key properties of 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine?
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83925233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).