1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine

C16H26ClFN2 — CID 102619049

IUPAC1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(Cc1cc(F)ccc1Cl)NC
InChIInChI=1S/C16H26ClFN2/c1-6-20(7-2)16(3,4)15(19-5)11-12-10-13(18)8-9-14(12)17/h8-10,15,19H,6-7,11H2,1-5H3
InChIKeyQXMDAYQLNJBHOU-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.73
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine

1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine (PubChem CID 102619049) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
PubChem CID102619049
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(Cc1cc(F)ccc1Cl)NC
InChIInChI=1S/C16H26ClFN2/c1-6-20(7-2)16(3,4)15(19-5)11-12-10-13(18)8-9-14(12)17/h8-10,15,19H,6-7,11H2,1-5H3
InChIKeyQXMDAYQLNJBHOU-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
CID 102619050
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
1-(3-bromo-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79709303
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 102622604
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
CID 105395903
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine (CID 102619049) is 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine is CCN(CC)C(C)(C)C(Cc1cc(F)ccc1Cl)NC.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The InChIKey is QXMDAYQLNJBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClFN2/c1-6-20(7-2)16(3,4)15(19-5)11-12-10-13(18)8-9-14(12)17/h8-10,15,19H,6-7,11H2,1-5H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine has a molecular weight of 300.85 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine is sourced from PubChem (CID 102619049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).