2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

C13H19Cl2FN2 — CID 82945746

IUPAC2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H19Cl2FN2/c1-8(7-18(3)4)17-9(2)12-10(14)5-6-11(16)13(12)15/h5-6,8-9,17H,7H2,1-4H3
InChIKeyMCFHIDCDLMVRHW-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.73
Rot. Bonds5

About 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945746) has the molecular formula C13H19Cl2FN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945746
Molecular FormulaC13H19Cl2FN2
Molecular Weight293.21 g/mol
Exact Mass292.09
IUPAC Name2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H19Cl2FN2/c1-8(7-18(3)4)17-9(2)12-10(14)5-6-11(16)13(12)15/h5-6,8-9,17H,7H2,1-4H3
InChIKeyMCFHIDCDLMVRHW-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 63454265
1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine
CID 63989941
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 113424478
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 114415090
1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 43545128
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 63478494
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 55259288
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046
(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81402040
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
2-N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945400
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945746) is 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is MCFHIDCDLMVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2FN2/c1-8(7-18(3)4)17-9(2)12-10(14)5-6-11(16)13(12)15/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 293.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).